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 COc1ccc2ccc3c(c2c1)C[C@H](N)[C@@H](c1cccc(F)c1)O3

InChI

InChI=1S/C20H18FNO2/c1-23-15-7-5-12-6-8-19-17(16(12)10-15)11-18(22)20(24-19)13-3-2-4-14(21)9-13/h2-10,18,20H,11,22H2,1H3/t18-,20+/m0/s1

InChIKey OXGOYXKLVFBWRT-AZUAARDMSA-N

Molecular Weight

323.37