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)c1ccccc1OCC(O)CNC(C)(C)CO

InChI InChI=1S/C15H23NO5/c1-15(2,10-17)16-8-11(18)9-21-13-7-5-4-6-12(13)14(19)20-3/h4-7,11,16-18H,8-10H2,1-3H3

InChIKey CAMLEILJOJETEX-UHFFFAOYSA-N

Molecular Weight

297.35