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

Systemtic Name: methyl 3-[3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-3-phenyl-propanoate CAS Name: 3-[[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-3-phenylpropanoate Traditional Name: 3-[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(CC(=O)OC)C2=CC=CC=C2)C)C#N

Isomeric SMILES

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

InChI

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