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)c1ccc(OCC(O)CNC(C)(C)C)cc1

InChI InChI=1S/C15H23NO4/c1-15(2,3)16-9-12(17)10-20-13-7-5-11(6-8-13)14(18)19-4/h5-8,12,16-17H,9-10H2,1-4H3

InChIKey SZAYMQLNVXIKNC-UHFFFAOYSA-N

Molecular Weight

281.35