[1-(4-bromanylphenoxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-yl] ethanoate

Systemtic Name: [1-(4-bromanylphenoxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-yl] ethanoate Openeye Name: [1-[(4-bromophenoxy)methyl]-2-(5,6-dimethylbenzimidazol-1-yl)ethyl] acetate CAS Name: acetic acid [1-(4-bromophenoxy)-3-(5,6-dimethyl-1-benzimidazolyl)propan-2-yl] ester IUPAC Name: [1-(4-bromophenoxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-yl] acetate Traditional Name: acetic acid [1-[(4-bromophenoxy)methyl]-2-(5,6-dimethylbenzimidazol-1-yl)ethyl] ester Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CC(COC3=CC=C(C=C3)Br)OC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)CC(COC3=CC=C(C=C3)Br)OC(=O)C

InChI

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