(2,6-ditert-butyl-4-methyl-cyclohexyl) 2-bromanyl-2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]ethanoate

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-bromanyl-2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-bromo-2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: 2-bromo-2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid (2,6-ditert-butyl-4-methylcyclohexyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylcyclohexyl) 2-bromo-2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: 2-bromo-2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C29H44BrN3O2 MolecularWeight: 546.58256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C(C2=NC(=NN2)C3=CC=C(C=C3)C(C)(C)C)Br)C(C)(C)C

Isomeric SMILES

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C(C2=NC(=NN2)C3=CC=C(C=C3)C(C)(C)C)Br)C(C)(C)C

InChI

InChI=1S/C29H44BrN3O2/c1-17-15-20(28(5,6)7)23(21(16-17)29(8,9)10)35-26(34)22(30)25-31-24(32-33-25)18-11-13-19(14-12-18)27(2,3)4/h11-14,17,20-23H,15-16H2,1-10H3,(H,31,32,33)