[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)OC(=O)/C=C/C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H20BrNO3/c1-15(20(24)22-14-13-16-5-3-2-4-6-16)25-19(23)12-9-17-7-10-18(21)11-8-17/h2-12,15H,13-14H2,1H3,(H,22,24)/b12-9+/t15-/m1/s1