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

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: 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-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C29H45N3O2 MolecularWeight: 467.6865

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C(C)(C)C)OC(=O)CC2=NC(=NN2)C3=CC=C(C=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1CC(C(C(C1)C(C)(C)C)OC(=O)CC2=NC(=NN2)C3=CC=C(C=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C29H45N3O2/c1-18-15-21(28(5,6)7)25(22(16-18)29(8,9)10)34-24(33)17-23-30-26(32-31-23)19-11-13-20(14-12-19)27(2,3)4/h11-14,18,21-22,25H,15-17H2,1-10H3,(H,30,31,32)