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

Systemtic Name: ethyl 4-[1-[(4-bromophenyl)methyl]-5-fluoranyl-benzimidazol-2-yl]-3,3-dimethyl-butanoate Openeye Name: ethyl 4-[1-[(4-bromophenyl)methyl]-5-fluoro-benzimidazol-2-yl]-3,3-dimethyl-butanoate CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-fluoro-2-benzimidazolyl]-3,3-dimethylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-bromophenyl)methyl]-5-fluorobenzimidazol-2-yl]-3,3-dimethylbutanoate Traditional Name: 4-[1-(4-bromobenzyl)-5-fluoro-benzimidazol-2-yl]-3,3-dimethyl-butyric acid ethyl ester Formula: C22H24BrFN2O2 MolecularWeight: 447.340563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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