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

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

Isomeric SMILES

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

InChI

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