2-(4-chloranyl-2-fluoranyl-phenyl)-1-cyclohexyl-4-(2-fluorophenyl)-6-[[3-(propan-2-ylcarbamoyl)phenyl]methoxy]benzimidazole-5-carboxylic acid

Systemtic Name: 2-(4-chloranyl-2-fluoranyl-phenyl)-1-cyclohexyl-4-(2-fluorophenyl)-6-[[3-(propan-2-ylcarbamoyl)phenyl]methoxy]benzimidazole-5-carboxylic acid Openeye Name: 2-(4-chloro-2-fluoro-phenyl)-1-cyclohexyl-4-(2-fluorophenyl)-6-[[3-(isopropylcarbamoyl)phenyl]methoxy]benzimidazole-5-carboxylic acid CAS Name: 2-(4-chloro-2-fluorophenyl)-1-cyclohexyl-4-(2-fluorophenyl)-6-[[3-[oxo-(propan-2-ylamino)methyl]phenyl]methoxy]-5-benzimidazolecarboxylic acid IUPAC Name: 2-(4-chloro-2-fluorophenyl)-1-cyclohexyl-4-(2-fluorophenyl)-6-[[3-(propan-2-ylcarbamoyl)phenyl]methoxy]benzimidazole-5-carboxylic acid Traditional Name: 2-(4-chloro-2-fluoro-phenyl)-1-cyclohexyl-4-(2-fluorophenyl)-6-[3-(isopropylcarbamoyl)benzyl]oxy-benzimidazole-5-carboxylic acid Formula: C37H34ClF2N3O4 MolecularWeight: 658.133366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=CC=C1)COC2=C(C(=C3C(=C2)N(C(=N3)C4=C(C=C(C=C4)Cl)F)C5CCCCC5)C6=CC=CC=C6F)C(=O)O

Isomeric SMILES

CC(C)NC(=O)C1=CC(=CC=C1)COC2=C(C(=C3C(=C2)N(C(=N3)C4=C(C=C(C=C4)Cl)F)C5CCCCC5)C6=CC=CC=C6F)C(=O)O

InChI

InChI=1S/C37H34ClF2N3O4/c1-21(2)41-36(44)23-10-8-9-22(17-23)20-47-31-19-30-34(32(33(31)37(45)46)26-13-6-7-14-28(26)39)42-35(27-16-15-24(38)18-29(27)40)43(30)25-11-4-3-5-12-25/h6-10,13-19,21,25H,3-5,11-12,20H2,1-2H3,(H,41,44)(H,45,46)