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 COc1cccc2c1-c1ccc3c(c1CO2)C(C)=CC(C)(C)N3

InChI InChI=1S/C20H21NO2/c1-12-10-20(2,3)21-15-9-8-13-14(18(12)15)11-23-17-7-5-6-16(22-4)19(13)17/h5-10,21H,11H2,1-4H3

InChIKey VBUUALSHELCWMH-UHFFFAOYSA-N

Molecular Weight

307.39