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(F)c(OCCCc2c(C)n[nH]c2C)c1

InChI InChI=1S/C16H19FN2O3/c1-10-13(11(2)19-18-10)5-4-8-22-15-9-12(16(20)21-3)6-7-14(15)17/h6-7,9H,4-5,8H2,1-3H3,(H,18,19)

InChIKey YETRJHDLKRPHGN-UHFFFAOYSA-N

Molecular Weight

306.34