[4-methyl-2,6-bis(2-methylbutan-2-yl)cyclohexyl] 2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethanoate

Systemtic Name: [4-methyl-2,6-bis(2-methylbutan-2-yl)cyclohexyl] 2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethanoate Openeye Name: [2,6-bis(1,1-dimethylpropyl)-4-methyl-cyclohexyl] 2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetate CAS Name: 2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetic acid [4-methyl-2,6-bis(2-methylbutan-2-yl)cyclohexyl] ester IUPAC Name: [4-methyl-2,6-bis(2-methylbutan-2-yl)cyclohexyl] 2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetate Traditional Name: 2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetic acid (2,6-ditert-amyl-4-methyl-cyclohexyl) ester Formula: C27H41N3O2 MolecularWeight: 439.63334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CC(CC(C1OC(=O)CC2=NC(=NN2)C3=CC=CC=C3)C(C)(C)CC)C

Isomeric SMILES

CCC(C)(C)C1CC(CC(C1OC(=O)CC2=NC(=NN2)C3=CC=CC=C3)C(C)(C)CC)C

InChI

InChI=1S/C27H41N3O2/c1-8-26(4,5)20-15-18(3)16-21(27(6,7)9-2)24(20)32-23(31)17-22-28-25(30-29-22)19-13-11-10-12-14-19/h10-14,18,20-21,24H,8-9,15-17H2,1-7H3,(H,28,29,30)