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 COc1ccccc1N1CCN(CCN2C(=O)C(C)CC(C)C2=O)CC1

InChI

InChI=1S/C20H29N3O3/c1-15-14-16(2)20(25)23(19(15)24)13-10-21-8-11-22(12-9-21)17-6-4-5-7-18(17)26-3/h4-7,15-16H,8-14H2,1-3H3

InChIKey VZZIZGWCQVNQAO-UHFFFAOYSA-N

Molecular Weight

359.47