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

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 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]acetate CAS Name: 2-[2-acetyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]acetic 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]acetate Traditional Name: 2-[2-acetyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]acetic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C31H47N3O3 MolecularWeight: 509.72318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C(C)(C)C)OC(=O)CC2=NC(=NN2C(=O)C)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(=NN2C(=O)C)C3=CC=C(C=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C31H47N3O3/c1-19-16-23(30(6,7)8)27(24(17-19)31(9,10)11)37-26(36)18-25-32-28(33-34(25)20(2)35)21-12-14-22(15-13-21)29(3,4)5/h12-15,19,23-24,27H,16-18H2,1-11H3