(E,2S)-4-(4-bromophenyl)-2-(phenylmethoxycarbonylamino)but-3-enoic acid

Systemtic Name: (E,2S)-4-(4-bromophenyl)-2-(phenylmethoxycarbonylamino)but-3-enoic acid Openeye Name: (E,2S)-2-(benzyloxycarbonylamino)-4-(4-bromophenyl)but-3-enoic acid CAS Name: (E,2S)-4-(4-bromophenyl)-2-(phenylmethoxycarbonylamino)-3-butenoic acid IUPAC Name: (E,2S)-4-(4-bromophenyl)-2-(phenylmethoxycarbonylamino)but-3-enoic acid Traditional Name: (E,2S)-2-(benzyloxycarbonylamino)-4-(4-bromophenyl)but-3-enoic acid Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(C=CC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO4/c19-15-9-6-13(7-10-15)8-11-16(17(21)22)20-18(23)24-12-14-4-2-1-3-5-14/h1-11,16H,12H2,(H,20,23)(H,21,22)/b11-8+/t16-/m0/s1