2-(4-chlorophenyl)-1-cyclohexyl-6-[[3-(3-methylbutanoyl)phenyl]methoxy]-4-phenyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-[[3-(3-methylbutanoyl)phenyl]methoxy]-4-phenyl-benzimidazole-5-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-[[3-(3-methylbutanoyl)phenyl]methoxy]-4-phenyl-benzimidazole-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-[[3-(3-methyl-1-oxobutyl)phenyl]methoxy]-4-phenyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-[[3-(3-methylbutanoyl)phenyl]methoxy]-4-phenylbenzimidazole-5-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-1-cyclohexyl-6-(3-isovalerylbenzyl)oxy-4-phenyl-benzimidazole-5-carboxylic acid Formula: C38H37ClN2O4 MolecularWeight: 621.16438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H37ClN2O4/c1-24(2)20-32(42)28-13-9-10-25(21-28)23-45-33-22-31-36(34(35(33)38(43)44)26-11-5-3-6-12-26)40-37(27-16-18-29(39)19-17-27)41(31)30-14-7-4-8-15-30/h3,5-6,9-13,16-19,21-22,24,30H,4,7-8,14-15,20,23H2,1-2H3,(H,43,44)