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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C17H18N2O4/c1-11-3-5-13(6-4-11)15(20)7-8-17(22)23-10-16(21)14(9-18)12(2)19/h3-6,14,19H,7-8,10H2,1-2H3/t14-/m0/s1