[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)OC(C)C(=O)NCC2=CC=CC=C2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)O[C@H](C)C(=O)NCC2=CC=CC=C2)Br

InChI

InChI=1S/C20H20BrNO3/c1-14-8-9-17(18(21)12-14)10-11-19(23)25-15(2)20(24)22-13-16-6-4-3-5-7-16/h3-12,15H,13H2,1-2H3,(H,22,24)/b11-10+/t15-/m1/s1