Generate IUPAC names for chemical structures | name | ACD/Labs (2023)

name overview

Get systematic chemical names for structures and generate structures from names

ACD/Name generates chemical names according to IUPAC rules, converts chemical names to structures, and easily handles difficult naming areas.

  • Generate names for Bio; biochemical; and some inorganic, organometallic and polymeric structures
  • Convert systematic or trivial names to structures


IUPAC nomenclature at your fingertips

Generate IUPAC names for chemical structures | name | ACD/Labs (1)

Easy to use

  • Name your molecule with a click of the button

Generate IUPAC names for chemical structures | name | ACD/Labs (2)

full coverage

  • Generate names and structures for a wide range of molecules

Generate IUPAC names for chemical structures | name | ACD/Labs (3)

chemically conscious

  • Automatically identifies tautomers and stereocenters

Generate IUPAC names for chemical structures | name | ACD/Labs (4)

Accurate and up-to-date implementation of IUPAC rules

  • The name is updated regularly to support new recommendations.

Generate IUPAC names for chemical structures | name | ACD/Labs (5)

Deeper understanding of naming rules

  • Highlight each fragment of its structure to view the applicable IUPAC rule

Generate IUPAC names for chemical structures | name | ACD/Labs (6)

assign stereo descriptors and numbering to atoms; Show a "hierarchical graph" for each stereocenter.

Generate IUPAC names for chemical structures | name | ACD/Labs (7)

Dynamically display the naming rules used to name your structure.

(Video) IUPAC Nomenclature of Alkanes - Naming Organic Compounds

Generate IUPAC names for chemical structures | name | ACD/Labs (8)

Name steroids and other natural parent compounds according to IUPAC recommendations.

Generate IUPAC names for chemical structures | name | ACD/Labs (9)

Generate the preferred IUPAC name for your structure with the push of a button.

Generate IUPAC names for chemical structures | name | ACD/Labs (10)

Peptide sequence names can be represented with one or three letter codes for amino acids.

Generate IUPAC names for chemical structures | name | ACD/Labs (11)

Generate names for branched ring arrays.

Generate IUPAC names for chemical structures | name | ACD/Labs (12)

assign stereo descriptors and numbering to atoms; Show a "hierarchical graph" for each stereocenter.

How it works

Name molecules easily and accurately

Add to Cart Request a consultation or demo

  • 1Draw or import a structure
  • 2Generate the IUPAC name
  • 3Check the generated name and references to the IUPAC rule from which the structure was derived

Customer Reviews
"We use ACD/Name daily to verify the nomenclature of submitted manuscripts."

Richard J. Smith,
Editor-in-Chief, Helvetica Chimica Acta

“ACD/Name was temporarily unavailable for <1 month while we migrated to new PCs; more than 50% of patent attorneys noticed and complained during this period.”

David Ennis

"Compared to other naming software...the quality of names generated by ACD/Name is second to none."

Gernot Eller
Molecules, 11, 915-928, 2006

(Video) IUPAC Names to Structure using Chemdraw

product characteristics

name features

  • chemical structure for naming
  • Chemical name for the structure
  • Naming supported in 21 languages
  • Draw, copy/paste or import molecular structures in multiple formats (including ChemDraw, MOL files and SMILES)
    See the complete list of supported data formats

  • Generate accurate systematic names according to IUPAC recommendations
  • Create index names according to CAS naming rules*
  • Generate names for organic, biochemical, inorganic, and organometallic structures, including:
    • Various functional groups including acids, alcohols, aldehydes, ketones, ethers, peroxides, salts and more
    • Mono and polycyclic systems
    • Homogeneous and heterogeneous chains
    • Structures of natural products (steroids, alkaloids, terpenes and carotenes)
    • Carbohydrates (in Haworth and other representations)
    • Amino acids, peptides and derivatives
    • Radicals and charged structures
    • some polymers
  • Assign stereo descriptors (R/S,E/Z,M/P,R/S,seqCis/seqTrans, a bandcis/trans)
  • number of atoms
  • Display a "hierarchical diagram" for each stereo center
  • Dynamically display the naming rules used to name your framework
  • Import multiple SD file structures and automatically generate their names
  • Export structures and names as SD files

*Index naming algorithms were developed exclusively by ACD/Labs and CAS makes no representations or warranties as to their effectiveness or accuracy. If you need names of chemical substances to report to regulatory authorities, they must be verified manually or obtained directly from CAS.

  • Generate accurate chemical name structures including:
    • Systematic, semi-systematic and trivial names of organic compounds
    • Structures of Natural Products and Derivatives
    • amino acids and peptides; including three-letter codes for peptides
    • Complex molecules such as carbohydrates and polysaccharides
    • Functional groups including acids and derivatives, aldehydes, ketones, alcohols, ethers and more
    • False names that do not strictly follow the rules of organic naming
  • Generate a structure of many names and identifiers, including:
    • InChI and SMILES notations
    • CAS registration and EU numbers
    • Trade and registered names (DCI, USAN, BAN, JAN)
  • Denote the stereo configuration of chiral centers and double bonds
  • Generate structure derivations with trivial and semitrivial dictionary names
  • Ambiguous names generate a warning or several possible structures to check
  • Generate systematic names in English, French and German
  • IUPAC nomenclature is supported in 18 additional languages ​​- Bulgarian, Croatian, Danish, Dutch, Estonian, Finnish, Greek, Hungarian, Italian, Latvian, Lithuanian, Polish, Portuguese, Romanian, Russian, Slovenian, Spanish and Swedish**
    • Differences in spelling, grammar, and citation order for substituents are accounted for in these language variants
  • Set your naming and language preferences

** Name development in specific languages ​​is ongoing and in some cases the generated name may differ from local language recommendations. We recommend consulting the naming recommendations for your language to ensure accuracy.

Name (Chemical Version)

Quick and easy generation of IUPAC names

For scientists who don't need the extended ACD/Name functionality, we offerACD/Name (chemical version).

This software generates IUPAC names from structures and structures from names; without the advanced features, language options, and rule derivations required by naming experts.

Check out a feature comparison of our different compound naming software

All prices in USD. Exchange rate fluctuations may occur. If you prefer to buy in your local currency, please contact us for a quote.

Sign up with an academic email address to view discounted rates orcontact usto discuss your eligibility.

  • Subscription license (including maintenance, billed annually until expiration) –$ 418,00

Add to Cart

  • Requirements
  • Software License vs. Subscription License
  • maintenance

operating system requirements

  • Windows 8.1 (x64)
  • Windows 10 (x64)

Hardware Requirements

  • Microsoft Windows compatible PC with at least 2 core CPU
  • 4 GB or more RAM
  • At least 40 GB of storage space

software license

  • Provided in perpetuity, with term technical support and software updates.

subscription license

  • Subscribe to the software annually, outside this period the license is invalid. Automatically extended until further notice.

ACD/Labs maintenance provides product enhancements, bug fixes, software updates and access to our experienced technical support specialists for the duration of the plan.Read all the details here.

(Video) Drawing Structures From IUPAC Names

Deployment/Integration Options

Need to name hundreds or thousands of connections?

For researchers who need to generate names for compound libraries or process hundreds of structures for compound registration, we offerACD/NomesstapelEACD/name for structure stack.

  • Generate names for thousands of structures in one session
  • Choose from different languages ​​to generate IUPAC names
  • Process text files and databases in SD format
  • Generate InChI identifiers
  • Save the generated names in .sdf, .rtf or .txt files
  • Available for Windows or Linux operating systems

Generate IUPAC names for chemical structures | name | ACD/Labs (13)

Generate IUPAC names for chemical structures | name | ACD/Labs (14)

ChemSketch is included with Name for all your structural drawing needs.

Start in the ChemSketch interface to draw or import a structure and quickly generate the IUPAC name for your drawn structure with a click of a button.

See what else you can do with ChemSketch

More reasons to use names

IUPAC Nomenclature Rules

The IUPAC Recommendations on the Nomenclature of Organic Chemistry (IUPAC Blue Book)1provide naming principles for all classes of organic compounds and continue to evolve.

In 2013, a new version of the IUPAC Blue Book was published, containing a large number of changes and new recommendations to keep pace with the increasing complexity of chemical substances.

The most significant change was the concept of the “IUPAC Preferred Name” (PIN), which is now determined by a hierarchical order of criteria that allow the derivation of a single systematic name for registrations, patents, regulations, etc.

In addition, this publication included naming principles developed for more complex substances and new classes of compounds, such as fullerenes and cyclophanes.

Most of the updated IUPAC organic naming recommendations were implemented in ACD/Name v2015 and later. The full text of these recommendations is available in print.1and in HTML format2. We hope to make these recommendations available in our ACD/Name software in the future.

Previously published versions of the IUPAC Nomenclature Rules (from 1979 and 1993) are available electronically on our websiteHere.

our contribution

ACD/Labs is proud of our involvement in the development of new organic nomenclature recommendations, both through our long-standing association with relevant IUPAC bodies and our contribution to the results of our nomenclature work. We are continuing to update our naming software to support these new recommendations.


  1. Favre, Henri A. e Powell, Warren H.Organic chemistry nomenclature. IUPAC Recommendations and Preferred Name 2013. Cambridge, Grã-Bretanha: The Royal Society of Chemistry, 2013. ISBN 978-0-85404-182-4.
  2. Moos, G.P. (2021, June 18).Organic chemistry nomenclature. IUPAC recommendations and preferred names 2013.

What's new!

What's new in Nome v2022

  • You can now generate chemical names in three more languages: Estonian, Latvian and Lithuanian
  • You can now export SD files with Unicode special characters
  • Various improvements to IUPAC name generation, including starch substituents and atropisomer recognition

Read the full list of what's new

(Video) Naming Coordination Compounds - Chemistry

Learn more about names

the blog

No one is infallible - not even the experts! Do you always update your software programs as soon as the next version is available? Read a customer's story about why updating to the latest version is important, not to mention the importance of always checking your own work!

the blog

What You Didn't Know About the History of Chemical Nomenclature Chemical nomenclature may seem like a simplified chemistry course; a prerequisite for any chemical activity that is often overlooked due to its vital importance. Here we discuss the legacy of our contribution to the field of chemical nomenclature — ACD/Nomenclature — and examine what has changed in the field of chemical nomenclature over the past two decades.

the blog

5 Things to STOP Doing in Your Lab | Save time and excel at your job It seems like there aren't enough hours in the day to get everything done. There are opportunities to buy time and do more, but they can be difficult to identify because until we are exposed to them, we continue as we always have. If you're still doing any of the things discussed here, there are ways to put hours into your day and make your work even better than you are now!

the blog

A quarter century of work and play... Looking back on my 25 years at ACD/Labs Andrey Yerin, project manager for ACD/Labs naming products, looks back on his 25 years with the company and the development of our naming software during that time.

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Nomenclature Comparison of products

NameName (Chemical Version)chemical draft
languagesenglish, french, germanenglish, french, germanEnglish
Name capability for structureEENO
Support for another languageBulgarian, Croatian, Danish, Dutch, Finnish, Greek, Hungarian, Italian, Polish, Portuguese, Romanian, Russian, Slovenian, Spanish and SwedishNONO
Maximum number of atoms per molecule1024 (except H)1024 (except H)50 (including H)
metallic elements and cationsAll elements except noble gasesAll elements except noble gasesH, C, N, P, O, S, F, Cl, Br, I, Li, Na e K
Maximum number of rings per cyclic fragment20203
Import/Export *.sdf filesUp to 99 structuresNONO
Link to IUPAC rules and explanations on name derivationENONO
Maximum number of characters per nameUnlimitedUnlimited100 characters

Supported file formats

provider or file formatDate formatComments
Chemical Drawings
ChemAxon Marvin Sketch*.mrventry only
Draw Dassault Systems BIOVIA*.SK CFrüher ISIS Sketch, MDL Draw, Symyx Draw e Accelrys Draw
PerkinElmer ChemDraw*.cdx, *cdxml, *.chm
Adobe Acrobat*.pdfleave only
Chemical structures and reactions
chemical markup language*.cmlleave only
formed FESTIVALS*.fasta and otherspeptide sequences
InChItext string
InChiKeytext stringleave only
MOL files*.mol
Pistoia Alliance LEME*.helm, *.xhelmPeptide sequences, input for xhelm files only
reaction files*.rxn
SMILEtext string
GIF image format*.gif
JPG image format*.jpgentry only
Brush*.pcxleave only
png image format*.png
TIFF-Bitmap*.tifleave only
Windows-Bitmap*.bmp, *.dib

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Sign up with an academic email address to see discounted pricing, or contact us to discuss your eligibility.

All prices in USD. Exchange rate fluctuations may occur. If you prefer to buy in your local currency, please contact us for a quote.

(Video) Organic Nomenclature - converting IUPAC name to structural formula alkane and alkene


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