(2,6-ditert-butyl-4-methyl-cyclohexyl) 2-methyl-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]propanoate

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-methyl-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]propanoate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-methyl-2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]propanoate CAS Name: 2-methyl-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]propanoic acid (2,6-ditert-butyl-4-methylcyclohexyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylcyclohexyl) 2-methyl-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]propanoate Traditional Name: 2-methyl-2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]propionic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C28H43N3O2 MolecularWeight: 453.65992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43N3O2/c1-17-11-13-19(14-12-17)23-29-24(31-30-23)28(9,10)25(32)33-22-20(26(3,4)5)15-18(2)16-21(22)27(6,7)8/h11-14,18,20-22H,15-16H2,1-10H3,(H,29,30,31)