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 CN(C(=O)CCCOc1ccc2c(c1)OCC(=O)N2)C1CCCCC1

InChI

InChI=1S/C19H26N2O4/c1-21(14-6-3-2-4-7-14)19(23)8-5-11-24-15-9-10-16-17(12-15)25-13-18(22)20-16/h9-10,12,14H,2-8,11,13H2,1H3,(H,20,22)

InChIKey OMDHYWFGEYGPCC-UHFFFAOYSA-N

Molecular Weight

346.43