[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-2-propenoic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O4/c1-18-14-19(2)16-23(15-18)29-26(31)25(22-12-8-5-9-13-22)33-27(32)24(28-20(3)30)17-21-10-6-4-7-11-21/h4-17,25H,1-3H3,(H,28,30)(H,29,31)/b24-17-