[4-bromanyl-1-(4-bromanylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl] 3-methylbutanoate

Systemtic Name: [4-bromanyl-1-(4-bromanylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl] 3-methylbutanoate Openeye Name: [3-bromo-1-[(4-bromophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-propyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-bromo-1-(4-bromophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl] ester IUPAC Name: [4-bromo-1-(4-bromophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [3-bromo-1-[(4-bromophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-propyl] ester Formula: C19H25Br2N3O3 MolecularWeight: 503.2281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC(C(N1C=NC=N1)OC2=CC=C(C=C2)Br)C(C)(C)CBr

Isomeric SMILES

CC(C)CC(=O)OC(C(N1C=NC=N1)OC2=CC=C(C=C2)Br)C(C)(C)CBr

InChI

InChI=1S/C19H25Br2N3O3/c1-13(2)9-16(25)27-17(19(3,4)10-20)18(24-12-22-11-23-24)26-15-7-5-14(21)6-8-15/h5-8,11-13,17-18H,9-10H2,1-4H3