1,2,4-triazol-1-yl 2-[acetyloxy-(2,6-dimethylphenyl)methyl]-2-tert-butyl-pentanoate

Systemtic Name: 1,2,4-triazol-1-yl 2-[acetyloxy-(2,6-dimethylphenyl)methyl]-2-tert-butyl-pentanoate Openeye Name: 1,2,4-triazol-1-yl 2-[acetoxy-(2,6-dimethylphenyl)methyl]-2-tert-butyl-pentanoate CAS Name: 2-[acetyloxy-(2,6-dimethylphenyl)methyl]-2-tert-butylpentanoic acid 1,2,4-triazol-1-yl ester IUPAC Name: 1,2,4-triazol-1-yl 2-[acetyloxy-(2,6-dimethylphenyl)methyl]-2-tert-butylpentanoate Traditional Name: 2-[acetoxy-(2,6-dimethylphenyl)methyl]-2-tert-butyl-valeric acid 1,2,4-triazol-1-yl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=C(C=CC=C1C)C)OC(=O)C)(C(=O)ON2C=NC=N2)C(C)(C)C

Isomeric SMILES

CCCC(C(C1=C(C=CC=C1C)C)OC(=O)C)(C(=O)ON2C=NC=N2)C(C)(C)C

InChI

InChI=1S/C22H31N3O4/c1-8-12-22(21(5,6)7,20(27)29-25-14-23-13-24-25)19(28-17(4)26)18-15(2)10-9-11-16(18)3/h9-11,13-14,19H,8,12H2,1-7H3