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

Systemtic Name: [(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C25H20N2O3 MolecularWeight: 396.4379

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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)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)/C=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H20N2O3/c1-18-7-14-22(15-8-18)27-25(29)24(21-5-3-2-4-6-21)30-23(28)16-13-19-9-11-20(17-26)12-10-19/h2-16,24H,1H3,(H,27,29)/b16-13+/t24-/m0/s1