ethyl 3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-2-butyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-2-butyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(4-bromo-2-fluoro-phenyl)methyl]-2-butyl-benzimidazole-5-carboxylate CAS Name: 3-[(4-bromo-2-fluorophenyl)methyl]-2-butyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromo-2-fluorophenyl)methyl]-2-butylbenzimidazole-5-carboxylate Traditional Name: 3-(4-bromo-2-fluoro-benzyl)-2-butyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H22BrFN2O2 MolecularWeight: 433.313983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=C(C=C(C=C3)Br)F)C=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=C(C=C(C=C3)Br)F)C=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H22BrFN2O2/c1-3-5-6-20-24-18-10-8-14(21(26)27-4-2)11-19(18)25(20)13-15-7-9-16(22)12-17(15)23/h7-12H,3-6,13H2,1-2H3