(4-ethyl-2,6-dimethyl-cyclohexyl) 2-bromanyl-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanoate

Systemtic Name: (4-ethyl-2,6-dimethyl-cyclohexyl) 2-bromanyl-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: (4-ethyl-2,6-dimethyl-cyclohexyl) 2-bromo-2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: 2-bromo-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid (4-ethyl-2,6-dimethylcyclohexyl) ester IUPAC Name: (4-ethyl-2,6-dimethylcyclohexyl) 2-bromo-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: 2-bromo-2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]acetic acid (4-ethyl-2,6-dimethyl-cyclohexyl) ester Formula: C21H28BrN3O2 MolecularWeight: 434.36992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C(C(C1)C)OC(=O)C(C2=NC(=NN2)C3=CC=C(C=C3)C)Br)C

Isomeric SMILES

CCC1CC(C(C(C1)C)OC(=O)C(C2=NC(=NN2)C3=CC=C(C=C3)C)Br)C

InChI

InChI=1S/C21H28BrN3O2/c1-5-15-10-13(3)18(14(4)11-15)27-21(26)17(22)20-23-19(24-25-20)16-8-6-12(2)7-9-16/h6-9,13-15,17-18H,5,10-11H2,1-4H3,(H,23,24,25)