2-[4-[[2-(4-chlorophenyl)-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[[2-(4-chlorophenyl)-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[2-(4-chlorophenyl)-5-[(2-hydroxy-1,1-dimethyl-ethyl)carbamoyl]phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[2-(4-chlorophenyl)-5-[[(1-hydroxy-2-methylpropan-2-yl)amino]-oxomethyl]phenyl]methoxy]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[2-(4-chlorophenyl)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[2-(4-chlorophenyl)-5-[(2-hydroxy-1,1-dimethyl-ethyl)carbamoyl]benzyl]oxyphenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C38H38ClN3O5 MolecularWeight: 652.17842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC(=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

Isomeric SMILES

CC(C)(CO)NC(=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

InChI

InChI=1S/C38H38ClN3O5/c1-38(2,23-43)41-36(44)26-12-18-32(24-8-14-29(39)15-9-24)28(20-26)22-47-31-16-10-25(11-17-31)35-40-33-21-27(37(45)46)13-19-34(33)42(35)30-6-4-3-5-7-30/h8-21,30,43H,3-7,22-23H2,1-2H3,(H,41,44)(H,45,46)