1-cyclohexyl-2-[2-fluoranyl-4-[[5-(2-oxidanylidenepyrrolidin-1-yl)-2-piperidin-1-yl-phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[2-fluoranyl-4-[[5-(2-oxidanylidenepyrrolidin-1-yl)-2-piperidin-1-yl-phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[2-fluoro-4-[[5-(2-oxopyrrolidin-1-yl)-2-(1-piperidyl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[2-fluoro-4-[[5-(2-oxo-1-pyrrolidinyl)-2-(1-piperidinyl)phenyl]methoxy]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[2-fluoro-4-[[5-(2-oxopyrrolidin-1-yl)-2-piperidin-1-ylphenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[2-fluoro-4-[5-(2-ketopyrrolidino)-2-piperidino-benzyl]oxy-phenyl]benzimidazole-5-carboxylic acid Formula: C36H39FN4O4 MolecularWeight: 610.717663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=C(C=C(C=C4)OCC5=C(C=CC(=C5)N6CCCC6=O)N7CCCCC7)F

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=C(C=C(C=C4)OCC5=C(C=CC(=C5)N6CCCC6=O)N7CCCCC7)F

InChI

InChI=1S/C36H39FN4O4/c37-30-22-28(45-23-25-20-27(40-19-7-10-34(40)42)12-16-32(25)39-17-5-2-6-18-39)13-14-29(30)35-38-31-21-24(36(43)44)11-15-33(31)41(35)26-8-3-1-4-9-26/h11-16,20-22,26H,1-10,17-19,23H2,(H,43,44)