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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)butanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-oxo-4-(4-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C19H22N2O4/c1-3-4-14-5-7-15(8-6-14)17(22)9-10-19(24)25-12-18(23)16(11-20)13(2)21/h5-8,16,21H,3-4,9-10,12H2,1-2H3/t16-/m0/s1