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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-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 [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 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 [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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