[2-(5-cyano-6-oxidanylidene-1-propan-2-yl-pyridin-3-yl)carbonylphenyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [2-(5-cyano-6-oxidanylidene-1-propan-2-yl-pyridin-3-yl)carbonylphenyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [2-(5-cyano-1-isopropyl-6-oxo-pyridine-3-carbonyl)phenyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid [2-[(5-cyano-6-oxo-1-propan-2-yl-3-pyridinyl)-oxomethyl]phenyl] ester IUPAC Name: [2-(5-cyano-6-oxo-1-propan-2-ylpyridine-3-carbonyl)phenyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2S)-2-(4-chlorophenyl)-3-methyl-butyric acid [2-(5-cyano-1-isopropyl-6-keto-nicotinoyl)phenyl] ester Formula: C27H25ClN2O4 MolecularWeight: 476.9514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC2=CC=CC=C2C(=O)C3=CN(C(=O)C(=C3)C#N)C(C)C

Isomeric SMILES

CC(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)OC2=CC=CC=C2C(=O)C3=CN(C(=O)C(=C3)C#N)C(C)C

InChI

InChI=1S/C27H25ClN2O4/c1-16(2)24(18-9-11-21(28)12-10-18)27(33)34-23-8-6-5-7-22(23)25(31)20-13-19(14-29)26(32)30(15-20)17(3)4/h5-13,15-17,24H,1-4H3/t24-/m0/s1