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

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [2-(4-butylphenyl)-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-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-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-(4-butylphenyl)-2-keto-ethyl] ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)CCC2=C(NC(=O)C(=C2C)C#N)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)CCC2=C(NC(=O)C(=C2C)C#N)C

InChI

InChI=1S/C23H26N2O4/c1-4-5-6-17-7-9-18(10-8-17)21(26)14-29-22(27)12-11-19-15(2)20(13-24)23(28)25-16(19)3/h7-10H,4-6,11-12,14H2,1-3H3,(H,25,28)