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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2R)-2-(4-chlorophenyl)-3-methylbutanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2R)-2-(4-chlorophenyl)-3-methyl-butyric acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H19ClN2O3 MolecularWeight: 334.79736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O3/c1-10(2)16(12-4-6-13(18)7-5-12)17(22)23-9-15(21)14(8-19)11(3)20/h4-7,10,14,16,20H,9H2,1-3H3/t14-,16+/m0/s1