1-cyclohexyl-2-[2-(5-methoxy-2-phenyl-phenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[2-(5-methoxy-2-phenyl-phenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[2-(5-methoxy-2-phenyl-phenyl)-6-quinolyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[2-(5-methoxy-2-phenylphenyl)-6-quinolinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[2-(5-methoxy-2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[2-(5-methoxy-2-phenyl-phenyl)-6-quinolyl]benzimidazole-5-carboxylic acid Formula: C36H31N3O3 MolecularWeight: 553.64964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=CC=C2)C3=NC4=C(C=C3)C=C(C=C4)C5=NC6=C(N5C7CCCCC7)C=CC(=C6)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=CC=C2)C3=NC4=C(C=C3)C=C(C=C4)C5=NC6=C(N5C7CCCCC7)C=CC(=C6)C(=O)O

InChI

InChI=1S/C36H31N3O3/c1-42-28-15-16-29(23-8-4-2-5-9-23)30(22-28)32-18-12-24-20-25(13-17-31(24)37-32)35-38-33-21-26(36(40)41)14-19-34(33)39(35)27-10-6-3-7-11-27/h2,4-5,8-9,12-22,27H,3,6-7,10-11H2,1H3,(H,40,41)