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.

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Canonical SMILES CCCCC(=O)Oc1ccc2c(c1)CNC(C(C)C)C(=O)N2CCc1ccc(C)cc1

InChI

InChI=1S/C26H34N2O3/c1-5-6-7-24(29)31-22-12-13-23-21(16-22)17-27-25(18(2)3)26(30)28(23)15-14-20-10-8-19(4)9-11-20/h8-13,16,18,25,27H,5-7,14-15,17H2,1-4H3

InChIKey RVLUARZXTCHTGG-UHFFFAOYSA-N

Molecular Weight

422.57

Search this InChIKey in ChEMBL →