[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C(=CC3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)/C(=C/C3=CC=C(C=C3)OC)/C#N

InChI

InChI=1S/C26H22N2O4/c1-18-8-12-22(13-9-18)28-25(29)24(20-6-4-3-5-7-20)32-26(30)21(17-27)16-19-10-14-23(31-2)15-11-19/h3-16,24H,1-2H3,(H,28,29)/b21-16+