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

Systemtic Name: ethyl 4-[1-[(4-bromophenyl)methyl]-5-chloranyl-benzimidazol-2-yl]-3,3-dimethyl-butanoate Openeye Name: ethyl 4-[1-[(4-bromophenyl)methyl]-5-chloro-benzimidazol-2-yl]-3,3-dimethyl-butanoate CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-chloro-2-benzimidazolyl]-3,3-dimethylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-bromophenyl)methyl]-5-chlorobenzimidazol-2-yl]-3,3-dimethylbutanoate Traditional Name: 4-[1-(4-bromobenzyl)-5-chloro-benzimidazol-2-yl]-3,3-dimethyl-butyric acid ethyl ester Formula: C22H24BrClN2O2 MolecularWeight: 463.79516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrClN2O2/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