[(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [(1R)-2-(dimethylamino)-2-keto-1-phenyl-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(C2=CC=CC=C2)C(=O)N(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO3/c1-14-9-10-15(17(21)13-14)11-12-18(23)25-19(20(24)22(2)3)16-7-5-4-6-8-16/h4-13,19H,1-3H3/b12-11+/t19-/m1/s1