3-[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]benzoic acid

Systemtic Name: 3-[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]benzoic acid Openeye Name: 3-[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]benzoic acid CAS Name: 3-[4-(1H-imidazol-5-ylmethylamino)-2-phenylphenyl]benzoic acid IUPAC Name: 3-[4-(1H-imidazol-5-ylmethylamino)-2-phenylphenyl]benzoic acid Traditional Name: 3-[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]benzoic acid Formula: C23H19N3O2 MolecularWeight: 369.41586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)NCC3=CN=CN3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)NCC3=CN=CN3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C23H19N3O2/c27-23(28)18-8-4-7-17(11-18)21-10-9-19(25-14-20-13-24-15-26-20)12-22(21)16-5-2-1-3-6-16/h1-13,15,25H,14H2,(H,24,26)(H,27,28)