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 NC[C@@H]1C[C@@]1(C(=O)N1CCOc2ccccc21)c1ccc2c(c1)OCO2

InChI

InChI=1S/C20H20N2O4/c21-11-14-10-20(14,13-5-6-17-18(9-13)26-12-25-17)19(23)22-7-8-24-16-4-2-1-3-15(16)22/h1-6,9,14H,7-8,10-12,21H2/t14-,20+/m0/s1

InChIKey RGXBRYANHNSPHQ-VBKZILBWSA-N

Molecular Weight

352.39