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

Systemtic Name: ethyl 4-[3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]benzoate CAS Name: 4-[[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]benzoate Traditional Name: 4-[3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propanoylamino]benzoic acid ethyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-4-27-20(26)14-5-7-15(8-6-14)23-18(24)10-9-16-12(2)17(11-21)19(25)22-13(16)3/h5-8H,4,9-10H2,1-3H3,(H,22,25)(H,23,24)