4-[[2-(4-bromophenyl)-4-[(3-cyanophenyl)methoxymethyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-(4-bromophenyl)-4-[(3-cyanophenyl)methoxymethyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-(4-bromophenyl)-4-[(3-cyanophenyl)methoxymethyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-(4-bromophenyl)-4-[(3-cyanophenyl)methoxymethyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-(4-bromophenyl)-4-[(3-cyanophenyl)methoxymethyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-(4-bromophenyl)-4-[(3-cyanobenzyl)oxymethyl]imidazol-1-yl]methyl]benzoic acid Formula: C26H20BrN3O3 MolecularWeight: 502.3593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COCC2=CN(C(=N2)C3=CC=C(C=C3)Br)CC4=CC=C(C=C4)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COCC2=CN(C(=N2)C3=CC=C(C=C3)Br)CC4=CC=C(C=C4)C(=O)O)C#N

InChI

InChI=1S/C26H20BrN3O3/c27-23-10-8-21(9-11-23)25-29-24(17-33-16-20-3-1-2-19(12-20)13-28)15-30(25)14-18-4-6-22(7-5-18)26(31)32/h1-12,15H,14,16-17H2,(H,31,32)