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 CCOCCN(CCOCC)c1cc(-c2ccccc2)cc(-c2ccc(O)c(C)c2)n1

InChI

InChI=1S/C26H32N2O3/c1-4-30-15-13-28(14-16-31-5-2)26-19-23(21-9-7-6-8-10-21)18-24(27-26)22-11-12-25(29)20(3)17-22/h6-12,17-19,29H,4-5,13-16H2,1-3H3

InChIKey UDUZAKDLZAVSDS-UHFFFAOYSA-N

Molecular Weight

420.55