[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCC2=C(NC(=O)C(=C2C)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CCC2=C(NC(=O)C(=C2C)C#N)C

InChI

InChI=1S/C21H22N2O4/c1-12-5-7-16(8-6-12)20(25)15(4)27-19(24)10-9-17-13(2)18(11-22)21(26)23-14(17)3/h5-8,15H,9-10H2,1-4H3,(H,23,26)/t15-/m0/s1