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

Systemtic Name: ethyl 4-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]benzimidazol-2-yl]-3,3-dimethyl-butanoate Openeye Name: ethyl 4-[1-[(4-bromo-2-fluoro-phenyl)methyl]benzimidazol-2-yl]-3,3-dimethyl-butanoate CAS Name: 4-[1-[(4-bromo-2-fluorophenyl)methyl]-2-benzimidazolyl]-3,3-dimethylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-bromo-2-fluorophenyl)methyl]benzimidazol-2-yl]-3,3-dimethylbutanoate Traditional Name: 4-[1-(4-bromo-2-fluoro-benzyl)benzimidazol-2-yl]-3,3-dimethyl-butyric acid ethyl ester Formula: C22H24BrFN2O2 MolecularWeight: 447.340563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)CC1=NC2=CC=CC=C2N1CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCOC(=O)CC(C)(C)CC1=NC2=CC=CC=C2N1CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C22H24BrFN2O2/c1-4-28-21(27)13-22(2,3)12-20-25-18-7-5-6-8-19(18)26(20)14-15-9-10-16(23)11-17(15)24/h5-11H,4,12-14H2,1-3H3