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 CCCOc1ccc2[nH]c3cnc(C(=O)OC(C)C)c(COC)c3c2c1

InChI

InChI=1S/C20H24N2O4/c1-5-8-25-13-6-7-16-14(9-13)18-15(11-24-4)19(20(23)26-12(2)3)21-10-17(18)22-16/h6-7,9-10,12,22H,5,8,11H2,1-4H3

InChIKey JJHDTZJRJLRYSK-UHFFFAOYSA-N

Molecular Weight

356.42