[(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [(1R)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C21H20N2O3/c1-14-4-8-17(9-5-14)12-18(13-22)21(25)26-16(3)20(24)23-19-10-6-15(2)7-11-19/h4-12,16H,1-3H3,(H,23,24)/b18-12+/t16-/m1/s1