[(2R)-1-(4-bromanylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-yl] ethanoate

Systemtic Name: [(2R)-1-(4-bromanylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-yl] ethanoate Openeye Name: [(1R)-1-[(4-bromophenoxy)methyl]-2-(2-ethylbenzimidazol-1-yl)ethyl] acetate CAS Name: acetic acid [(2R)-1-(4-bromophenoxy)-3-(2-ethyl-1-benzimidazolyl)propan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromophenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-yl] acetate Traditional Name: acetic acid [(1R)-1-[(4-bromophenoxy)methyl]-2-(2-ethylbenzimidazol-1-yl)ethyl] ester Formula: C20H21BrN2O3 MolecularWeight: 417.29634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)Br)OC(=O)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1C[C@H](COC3=CC=C(C=C3)Br)OC(=O)C

InChI

InChI=1S/C20H21BrN2O3/c1-3-20-22-18-6-4-5-7-19(18)23(20)12-17(26-14(2)24)13-25-16-10-8-15(21)9-11-16/h4-11,17H,3,12-13H2,1-2H3/t17-/m1/s1