(E)-4-[2-[(2-bromophenyl)methyl]-4-phenylmethoxycarbonyl-imidazol-2-yl]but-2-enoic acid

Systemtic Name: (E)-4-[2-[(2-bromophenyl)methyl]-4-phenylmethoxycarbonyl-imidazol-2-yl]but-2-enoic acid Openeye Name: (E)-4-[4-benzyloxycarbonyl-2-[(2-bromophenyl)methyl]imidazol-2-yl]but-2-enoic acid CAS Name: (E)-4-[2-[(2-bromophenyl)methyl]-4-phenylmethoxycarbonyl-2-imidazolyl]-2-butenoic acid IUPAC Name: (E)-4-[2-[(2-bromophenyl)methyl]-4-phenylmethoxycarbonylimidazol-2-yl]but-2-enoic acid Traditional Name: (E)-4-[2-(2-bromobenzyl)-4-carbobenzoxy-imidazol-2-yl]but-2-enoic acid Formula: C22H19BrN2O4 MolecularWeight: 455.30126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=NC(N=C2)(CC=CC(=O)O)CC3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=NC(N=C2)(C/C=C/C(=O)O)CC3=CC=CC=C3Br

InChI

InChI=1S/C22H19BrN2O4/c23-18-10-5-4-9-17(18)13-22(12-6-11-20(26)27)24-14-19(25-22)21(28)29-15-16-7-2-1-3-8-16/h1-11,14H,12-13,15H2,(H,26,27)/b11-6+