2-[4-[[2-(4-chlorophenyl)-5-(2-methylpropylcarbamoyl)phenyl]methoxy]-2-fluoranyl-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[[2-(4-chlorophenyl)-5-(2-methylpropylcarbamoyl)phenyl]methoxy]-2-fluoranyl-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[2-(4-chlorophenyl)-5-(isobutylcarbamoyl)phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[2-(4-chlorophenyl)-5-[(2-methylpropylamino)-oxomethyl]phenyl]methoxy]-2-fluorophenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[2-(4-chlorophenyl)-5-(2-methylpropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[2-(4-chlorophenyl)-5-(isobutylcarbamoyl)benzyl]oxy-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C38H37ClFN3O4 MolecularWeight: 654.169483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)COC3=CC(=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O)F

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)COC3=CC(=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O)F

InChI

InChI=1S/C38H37ClFN3O4/c1-23(2)21-41-37(44)25-10-15-31(24-8-12-28(39)13-9-24)27(18-25)22-47-30-14-16-32(33(40)20-30)36-42-34-19-26(38(45)46)11-17-35(34)43(36)29-6-4-3-5-7-29/h8-20,23,29H,3-7,21-22H2,1-2H3,(H,41,44)(H,45,46)