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

Systemtic Name: methyl 4-[2-[3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]ethyl]benzoate CAS Name: 4-[2-[[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-oxopropyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]ethyl]benzoate Traditional Name: 4-[2-[3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propanoylamino]ethyl]benzoic 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)NCCC2=CC=C(C=C2)C(=O)OC)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)NCCC2=CC=C(C=C2)C(=O)OC)C)C#N

InChI

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