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

Systemtic Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C=CC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC(=O)/C=C/C2=CC(=CC=C2)Br

InChI

InChI=1S/C20H20BrNO3/c1-14-6-8-17(9-7-14)13-22-20(24)15(2)25-19(23)11-10-16-4-3-5-18(21)12-16/h3-12,15H,13H2,1-2H3,(H,22,24)/b11-10+/t15-/m0/s1