3-[4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoic acid

Systemtic Name: 3-[4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoic acid Openeye Name: 3-[4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoic acid CAS Name: 3-[4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-2-phenylphenyl]benzoic acid IUPAC Name: 3-[4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenylphenyl]benzoic acid Traditional Name: 3-[4-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoic acid Formula: C31H24N4O2 MolecularWeight: 484.54786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C5=CC(=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C5=CC(=CC=C5)C(=O)O

InChI

InChI=1S/C31H24N4O2/c32-17-22-9-11-23(12-10-22)20-35-21-33-18-28(35)19-34-27-13-14-29(25-7-4-8-26(15-25)31(36)37)30(16-27)24-5-2-1-3-6-24/h1-16,18,21,34H,19-20H2,(H,36,37)