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

Systemtic Name: 2-[4-[[2-(4-chlorophenyl)-5-(ethylcarbamoyl)phenyl]methoxy]-2-fluoranyl-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[2-(4-chlorophenyl)-5-(ethylcarbamoyl)phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[2-(4-chlorophenyl)-5-(ethylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[2-(4-chlorophenyl)-5-(ethylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[2-(4-chlorophenyl)-5-(ethylcarbamoyl)benzyl]oxy-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C36H33ClFN3O4 MolecularWeight: 626.116323

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=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

CCNC(=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/C36H33ClFN3O4/c1-2-39-35(42)23-10-15-29(22-8-12-26(37)13-9-22)25(18-23)21-45-28-14-16-30(31(38)20-28)34-40-32-19-24(36(43)44)11-17-33(32)41(34)27-6-4-3-5-7-27/h8-20,27H,2-7,21H2,1H3,(H,39,42)(H,43,44)