(2,6-ditert-butyl-4-methyl-cyclohexyl) 2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethanoate

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethanoate Openeye Name: (2,6-ditert-butyl-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 (2,6-ditert-butyl-4-methylcyclohexyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylcyclohexyl) 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-butyl-4-methyl-cyclohexyl) ester Formula: C25H37N3O2 MolecularWeight: 411.58018

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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=CC=C3)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O2/c1-16-13-18(24(2,3)4)22(19(14-16)25(5,6)7)30-21(29)15-20-26-23(28-27-20)17-11-9-8-10-12-17/h8-12,16,18-19,22H,13-15H2,1-7H3,(H,26,27,28)