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

Systemtic Name: 4-[[2-(4-bromophenyl)-4-[(4-cyanophenyl)methoxymethyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-(4-bromophenyl)-4-[(4-cyanophenyl)methoxymethyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-(4-bromophenyl)-4-[(4-cyanophenyl)methoxymethyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-(4-bromophenyl)-4-[(4-cyanophenyl)methoxymethyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-(4-bromophenyl)-4-[(4-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=C1CN2C=C(N=C2C3=CC=C(C=C3)Br)COCC4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(N=C2C3=CC=C(C=C3)Br)COCC4=CC=C(C=C4)C#N)C(=O)O

InChI

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