[4-(phenylcarbamoyl)phenyl]methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H20N2O3/c1-18-7-9-19(10-8-18)15-22(16-26)25(29)30-17-20-11-13-21(14-12-20)24(28)27-23-5-3-2-4-6-23/h2-15H,17H2,1H3,(H,27,28)/b22-15+