[4-(2-cyclohexylphenoxy)-2,2-dimethyl-3-oxidanylidene-4-(1,2,4-triazol-1-yl)butyl] ethanoate

Systemtic Name: [4-(2-cyclohexylphenoxy)-2,2-dimethyl-3-oxidanylidene-4-(1,2,4-triazol-1-yl)butyl] ethanoate Openeye Name: [4-(2-cyclohexylphenoxy)-2,2-dimethyl-3-oxo-4-(1,2,4-triazol-1-yl)butyl] acetate CAS Name: acetic acid [4-(2-cyclohexylphenoxy)-2,2-dimethyl-3-oxo-4-(1,2,4-triazol-1-yl)butyl] ester IUPAC Name: [4-(2-cyclohexylphenoxy)-2,2-dimethyl-3-oxo-4-(1,2,4-triazol-1-yl)butyl] acetate Traditional Name: acetic acid [4-(2-cyclohexylphenoxy)-3-keto-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=CC=C2C3CCCCC3

Isomeric SMILES

CC(=O)OCC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=CC=C2C3CCCCC3

InChI

InChI=1S/C22H29N3O4/c1-16(26)28-13-22(2,3)20(27)21(25-15-23-14-24-25)29-19-12-8-7-11-18(19)17-9-5-4-6-10-17/h7-8,11-12,14-15,17,21H,4-6,9-10,13H2,1-3H3