methyl 2-[4-[[2-(4-chlorophenyl)-5-nitro-phenyl]methoxy]-2-fluoranyl-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[4-[[2-(4-chlorophenyl)-5-nitro-phenyl]methoxy]-2-fluoranyl-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylate Openeye Name: methyl 2-[4-[[2-(4-chlorophenyl)-5-nitro-phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylate CAS Name: 2-[4-[[2-(4-chlorophenyl)-5-nitrophenyl]methoxy]-2-fluorophenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[[2-(4-chlorophenyl)-5-nitrophenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate Traditional Name: 2-[4-[2-(4-chlorophenyl)-5-nitro-benzyl]oxy-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid methyl ester Formula: C34H29ClFN3O5 MolecularWeight: 614.062563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=C(C=C(C=C3)OCC4=C(C=CC(=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl)F)C6CCCCC6

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=C(C=C(C=C3)OCC4=C(C=CC(=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl)F)C6CCCCC6

InChI

InChI=1S/C34H29ClFN3O5/c1-43-34(40)22-9-16-32-31(18-22)37-33(38(32)25-5-3-2-4-6-25)29-15-13-27(19-30(29)36)44-20-23-17-26(39(41)42)12-14-28(23)21-7-10-24(35)11-8-21/h7-19,25H,2-6,20H2,1H3