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

Systemtic Name: methyl 2-[4-[(2-bromanyl-5-nitro-phenyl)methoxy]-2-fluoranyl-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylate Openeye Name: methyl 2-[4-[(2-bromo-5-nitro-phenyl)methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylate CAS Name: 2-[4-[(2-bromo-5-nitrophenyl)methoxy]-2-fluorophenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[(2-bromo-5-nitrophenyl)methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylate Traditional Name: 2-[4-(2-bromo-5-nitro-benzyl)oxy-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid methyl ester Formula: C28H25BrFN3O5 MolecularWeight: 582.417603

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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-])Br)F)C5CCCCC5

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-])Br)F)C5CCCCC5

InChI

InChI=1S/C28H25BrFN3O5/c1-37-28(34)17-7-12-26-25(14-17)31-27(32(26)19-5-3-2-4-6-19)22-10-9-21(15-24(22)30)38-16-18-13-20(33(35)36)8-11-23(18)29/h7-15,19H,2-6,16H2,1H3