methyl (E,2S)-4-(3-bromophenyl)-2-(phenylmethoxycarbonylamino)but-3-enoate

Systemtic Name: methyl (E,2S)-4-(3-bromophenyl)-2-(phenylmethoxycarbonylamino)but-3-enoate Openeye Name: methyl (E,2S)-2-(benzyloxycarbonylamino)-4-(3-bromophenyl)but-3-enoate CAS Name: (E,2S)-4-(3-bromophenyl)-2-(phenylmethoxycarbonylamino)-3-butenoic acid methyl ester IUPAC Name: methyl (E,2S)-4-(3-bromophenyl)-2-(phenylmethoxycarbonylamino)but-3-enoate Traditional Name: (E,2S)-2-(benzyloxycarbonylamino)-4-(3-bromophenyl)but-3-enoic acid methyl ester Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=CC1=CC(=CC=C1)Br)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](/C=C/C1=CC(=CC=C1)Br)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H18BrNO4/c1-24-18(22)17(11-10-14-8-5-9-16(20)12-14)21-19(23)25-13-15-6-3-2-4-7-15/h2-12,17H,13H2,1H3,(H,21,23)/b11-10+/t17-/m0/s1