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

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-bromanyl-2-[5-(4-tert-butylphenyl)-2-ethanoyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-[2-acetyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]-2-bromo-acetate CAS Name: 2-[2-acetyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]-2-bromoacetic acid (2,6-ditert-butyl-4-methylcyclohexyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylcyclohexyl) 2-[2-acetyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]-2-bromoacetate Traditional Name: 2-[2-acetyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]-2-bromo-acetic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C31H46BrN3O3 MolecularWeight: 588.61924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C(C2=NC(=NN2C(=O)C)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(=NN2C(=O)C)C3=CC=C(C=C3)C(C)(C)C)Br)C(C)(C)C

InChI

InChI=1S/C31H46BrN3O3/c1-18-16-22(30(6,7)8)25(23(17-18)31(9,10)11)38-28(37)24(32)27-33-26(34-35(27)19(2)36)20-12-14-21(15-13-20)29(3,4)5/h12-15,18,22-25H,16-17H2,1-11H3