ethyl 4-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-fluoranyl-benzimidazol-2-yl]-3,3-dimethyl-butanoate

Systemtic Name: ethyl 4-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-fluoranyl-benzimidazol-2-yl]-3,3-dimethyl-butanoate Openeye Name: ethyl 4-[1-[(4-bromo-2-fluoro-phenyl)methyl]-5-fluoro-benzimidazol-2-yl]-3,3-dimethyl-butanoate CAS Name: 4-[1-[(4-bromo-2-fluorophenyl)methyl]-5-fluoro-2-benzimidazolyl]-3,3-dimethylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-bromo-2-fluorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-3,3-dimethylbutanoate Traditional Name: 4-[1-(4-bromo-2-fluoro-benzyl)-5-fluoro-benzimidazol-2-yl]-3,3-dimethyl-butyric acid ethyl ester Formula: C22H23BrF2N2O2 MolecularWeight: 465.331026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)CC1=NC2=C(N1CC3=C(C=C(C=C3)Br)F)C=CC(=C2)F

Isomeric SMILES

CCOC(=O)CC(C)(C)CC1=NC2=C(N1CC3=C(C=C(C=C3)Br)F)C=CC(=C2)F

InChI

InChI=1S/C22H23BrF2N2O2/c1-4-29-21(28)12-22(2,3)11-20-26-18-10-16(24)7-8-19(18)27(20)13-14-5-6-15(23)9-17(14)25/h5-10H,4,11-13H2,1-3H3