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

Systemtic Name: 2-[4-[[2-(4-chlorophenyl)-5-nitro-phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[2-(4-chlorophenyl)-5-nitro-phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[2-(4-chlorophenyl)-5-nitrophenyl]methoxy]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[2-(4-chlorophenyl)-5-nitrophenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[2-(4-chlorophenyl)-5-nitro-benzyl]oxyphenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C33H28ClN3O5 MolecularWeight: 582.04552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)OCC5=C(C=CC(=C5)[N+](=O)[O-])C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)OCC5=C(C=CC(=C5)[N+](=O)[O-])C6=CC=C(C=C6)Cl

InChI

InChI=1S/C33H28ClN3O5/c34-25-11-6-21(7-12-25)29-16-13-27(37(40)41)18-24(29)20-42-28-14-8-22(9-15-28)32-35-30-19-23(33(38)39)10-17-31(30)36(32)26-4-2-1-3-5-26/h6-19,26H,1-5,20H2,(H,38,39)