[4-bromanyl-1-(4-methoxyphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl] ethanoate

Systemtic Name: [4-bromanyl-1-(4-methoxyphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl] ethanoate Openeye Name: [3-bromo-1-[(4-methoxyphenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-propyl] acetate CAS Name: acetic acid [4-bromo-1-(4-methoxyphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl] ester IUPAC Name: [4-bromo-1-(4-methoxyphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl] acetate Traditional Name: acetic acid [3-bromo-1-[(4-methoxyphenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-propyl] ester Formula: C17H22BrN3O4 MolecularWeight: 412.27828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3O4/c1-12(22)24-15(17(2,3)9-18)16(21-11-19-10-20-21)25-14-7-5-13(23-4)6-8-14/h5-8,10-11,15-16H,9H2,1-4H3