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

Systemtic Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoic acid Openeye Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoic acid CAS Name: 4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-2-phenylbenzoic acid IUPAC Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenylbenzoic acid Traditional Name: 4-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]-2-phenyl-benzoic acid Formula: C25H20N4O2 MolecularWeight: 408.4519

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O2/c26-13-18-6-8-19(9-7-18)16-29-17-27-14-22(29)15-28-21-10-11-23(25(30)31)24(12-21)20-4-2-1-3-5-20/h1-12,14,17,28H,15-16H2,(H,30,31)