1-cyclohexyl-2-[2-[2-(4-fluorophenyl)-5-pyrrolidin-1-ylcarbonyl-phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[2-[2-(4-fluorophenyl)-5-pyrrolidin-1-ylcarbonyl-phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[2-[2-(4-fluorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]-6-quinolyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[2-[2-(4-fluorophenyl)-5-[oxo(1-pyrrolidinyl)methyl]phenyl]-6-quinolinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[2-[2-(4-fluorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[2-[2-(4-fluorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]-6-quinolyl]benzimidazole-5-carboxylic acid Formula: C40H35FN4O3 MolecularWeight: 638.729303

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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=C(C=CC(=C6)C(=O)N7CCCC7)C8=CC=C(C=C8)F

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C6=C(C=CC(=C6)C(=O)N7CCCC7)C8=CC=C(C=C8)F

InChI

InChI=1S/C40H35FN4O3/c41-30-14-8-25(9-15-30)32-16-10-28(39(46)44-20-4-5-21-44)23-33(32)35-18-11-26-22-27(12-17-34(26)42-35)38-43-36-24-29(40(47)48)13-19-37(36)45(38)31-6-2-1-3-7-31/h8-19,22-24,31H,1-7,20-21H2,(H,47,48)