Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES COc1ccc2c(c1)NC(=O)/C2=C\c1cc2c([nH]1)CCCC2

InChI

InChI=1S/C18H18N2O2/c1-22-13-6-7-14-15(18(21)20-17(14)10-13)9-12-8-11-4-2-3-5-16(11)19-12/h6-10,19H,2-5H2,1H3,(H,20,21)/b15-9-

InChIKey FZYFCOVGBMTUON-DHDCSXOGSA-N

Molecular Weight

294.35