[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-oxo-4-(4-pentoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-pentoxyphenyl)butanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-oxo-4-(4-pentoxyphenyl)butanoate Traditional Name: 4-(4-amoxyphenyl)-4-keto-butyric acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C21H26N2O5/c1-3-4-5-12-27-17-8-6-16(7-9-17)19(24)10-11-21(26)28-14-20(25)18(13-22)15(2)23/h6-9,18,23H,3-5,10-12,14H2,1-2H3/t18-/m0/s1