1-cyclohexyl-2-[2-(3,5-dimethoxyphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[2-(3,5-dimethoxyphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[2-(3,5-dimethoxyphenyl)-6-quinolyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[2-(3,5-dimethoxyphenyl)-6-quinolinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[2-(3,5-dimethoxyphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[2-(3,5-dimethoxyphenyl)-6-quinolyl]benzimidazole-5-carboxylic acid Formula: C31H29N3O4 MolecularWeight: 507.57966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC3=C(C=C2)C=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC3=C(C=C2)C=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O)OC

InChI

InChI=1S/C31H29N3O4/c1-37-24-15-22(16-25(18-24)38-2)27-11-8-19-14-20(9-12-26(19)32-27)30-33-28-17-21(31(35)36)10-13-29(28)34(30)23-6-4-3-5-7-23/h8-18,23H,3-7H2,1-2H3,(H,35,36)