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 COc1ccc(C(=O)Nc2c(C)cncc2C)cc1OC1CCCC1

InChI

InChI=1S/C20H24N2O3/c1-13-11-21-12-14(2)19(13)22-20(23)15-8-9-17(24-3)18(10-15)25-16-6-4-5-7-16/h8-12,16H,4-7H2,1-3H3,(H,21,22,23)

InChIKey KLJRISFQFUQGBC-UHFFFAOYSA-N

Molecular Weight

340.42