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

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C=CC2=CC=CC=C2C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)/C=C/C2=CC=CC=C2C

InChI

InChI=1S/C20H21NO3/c1-14-8-11-18(12-9-14)21-20(23)16(3)24-19(22)13-10-17-7-5-4-6-15(17)2/h4-13,16H,1-3H3,(H,21,23)/b13-10+/t16-/m0/s1