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

Systemtic Name: 3-[4-[[3-[(4-nitrophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoic acid Openeye Name: 3-[4-[[3-[(4-nitrophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoic acid CAS Name: 3-[4-[[3-[(4-nitrophenyl)methyl]-4-imidazolyl]methylamino]-2-phenylphenyl]benzoic acid IUPAC Name: 3-[4-[[3-[(4-nitrophenyl)methyl]imidazol-4-yl]methylamino]-2-phenylphenyl]benzoic acid Traditional Name: 3-[4-[[3-(4-nitrobenzyl)imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoic acid Formula: C30H24N4O4 MolecularWeight: 504.53596

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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+](=O)[O-])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+](=O)[O-])C5=CC(=CC=C5)C(=O)O

InChI

InChI=1S/C30H24N4O4/c35-30(36)24-8-4-7-23(15-24)28-14-11-25(16-29(28)22-5-2-1-3-6-22)32-18-27-17-31-20-33(27)19-21-9-12-26(13-10-21)34(37)38/h1-17,20,32H,18-19H2,(H,35,36)