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

Systemtic Name: 3-[4-[[3-[(4-aminophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoic acid Openeye Name: 3-[4-[[3-[(4-aminophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoic acid CAS Name: 3-[4-[[3-[(4-aminophenyl)methyl]-4-imidazolyl]methylamino]-2-phenylphenyl]benzoic acid IUPAC Name: 3-[4-[[3-[(4-aminophenyl)methyl]imidazol-4-yl]methylamino]-2-phenylphenyl]benzoic acid Traditional Name: 3-[4-[[3-(4-aminobenzyl)imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoic acid Formula: C30H26N4O2 MolecularWeight: 474.55304

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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)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)N)C5=CC(=CC=C5)C(=O)O

InChI

InChI=1S/C30H26N4O2/c31-25-11-9-21(10-12-25)19-34-20-32-17-27(34)18-33-26-13-14-28(23-7-4-8-24(15-23)30(35)36)29(16-26)22-5-2-1-3-6-22/h1-17,20,33H,18-19,31H2,(H,35,36)