1-cyclohexyl-2-[2-[2-(3,4-dichlorophenyl)-5-methoxy-phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[2-[2-(3,4-dichlorophenyl)-5-methoxy-phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[2-[2-(3,4-dichlorophenyl)-5-methoxy-phenyl]-6-quinolyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[2-[2-(3,4-dichlorophenyl)-5-methoxyphenyl]-6-quinolinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[2-[2-(3,4-dichlorophenyl)-5-methoxyphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[2-[2-(3,4-dichlorophenyl)-5-methoxy-phenyl]-6-quinolyl]benzimidazole-5-carboxylic acid Formula: C36H29Cl2N3O3 MolecularWeight: 622.53976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H29Cl2N3O3/c1-44-26-11-12-27(21-7-13-29(37)30(38)18-21)28(20-26)32-15-8-22-17-23(9-14-31(22)39-32)35-40-33-19-24(36(42)43)10-16-34(33)41(35)25-5-3-2-4-6-25/h7-20,25H,2-6H2,1H3,(H,42,43)