1-cyclohexyl-2-[2-(4-phenoxyphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[2-(4-phenoxyphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[2-(4-phenoxyphenyl)-6-quinolyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[2-(4-phenoxyphenyl)-6-quinolinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[2-(4-phenoxyphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[2-(4-phenoxyphenyl)-6-quinolyl]benzimidazole-5-carboxylic acid Formula: C35H29N3O3 MolecularWeight: 539.62306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C6=CC=C(C=C6)OC7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C6=CC=C(C=C6)OC7=CC=CC=C7

InChI

InChI=1S/C35H29N3O3/c39-35(40)26-15-20-33-32(22-26)37-34(38(33)27-7-3-1-4-8-27)25-14-19-31-24(21-25)13-18-30(36-31)23-11-16-29(17-12-23)41-28-9-5-2-6-10-28/h2,5-6,9-22,27H,1,3-4,7-8H2,(H,39,40)