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

Systemtic Name: methyl (2S)-2-[3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)NC(CC2=CC=CC=C2)C(=O)OC)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)C)C#N

InChI

InChI=1S/C21H23N3O4/c1-13-16(14(2)23-20(26)17(13)12-22)9-10-19(25)24-18(21(27)28-3)11-15-7-5-4-6-8-15/h4-8,18H,9-11H2,1-3H3,(H,23,26)(H,24,25)/t18-/m0/s1