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 COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccc2)n(C)c1=O

InChI InChI=1S/C21H19NO4/c1-22-19(15-7-5-4-6-8-15)17(13-18(20(22)23)21(24)26-3)14-9-11-16(25-2)12-10-14/h4-13H,1-3H3

InChIKey VDDATJOZLCYXHB-UHFFFAOYSA-N

Molecular Weight

349.39