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

Systemtic Name: 2-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]quinolin-6-yl]-3-cyclohexyl-benzimidazole-4-carboxylic acid Openeye Name: 2-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]-6-quinolyl]-3-cyclohexyl-benzimidazole-4-carboxylic acid CAS Name: 2-[2-[2-(4-chlorophenyl)-5-methoxyphenyl]-6-quinolinyl]-3-cyclohexyl-4-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[2-(4-chlorophenyl)-5-methoxyphenyl]quinolin-6-yl]-3-cyclohexylbenzimidazole-4-carboxylic acid Traditional Name: 2-[2-[2-(4-chlorophenyl)-5-methoxy-phenyl]-6-quinolyl]-3-cyclohexyl-benzimidazole-4-carboxylic acid Formula: C36H30ClN3O3 MolecularWeight: 588.0947

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)C3=NC4=C(C=C3)C=C(C=C4)C5=NC6=CC=CC(=C6N5C7CCCCC7)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)C3=NC4=C(C=C3)C=C(C=C4)C5=NC6=CC=CC(=C6N5C7CCCCC7)C(=O)O

InChI

InChI=1S/C36H30ClN3O3/c1-43-27-16-17-28(22-10-14-25(37)15-11-22)30(21-27)32-19-12-23-20-24(13-18-31(23)38-32)35-39-33-9-5-8-29(36(41)42)34(33)40(35)26-6-3-2-4-7-26/h5,8-21,26H,2-4,6-7H2,1H3,(H,41,42)