[3-acetyloxy-2-(acetyloxymethyl)-4-(4-chloranylphenoxy)-2-methyl-4-(1,2,4-triazol-1-yl)butyl] ethanoate

Systemtic Name: [3-acetyloxy-2-(acetyloxymethyl)-4-(4-chloranylphenoxy)-2-methyl-4-(1,2,4-triazol-1-yl)butyl] ethanoate Openeye Name: [3-acetoxy-2-(acetoxymethyl)-4-(4-chlorophenoxy)-2-methyl-4-(1,2,4-triazol-1-yl)butyl] acetate CAS Name: acetic acid [3-acetyloxy-2-(acetyloxymethyl)-4-(4-chlorophenoxy)-2-methyl-4-(1,2,4-triazol-1-yl)butyl] ester IUPAC Name: [3-acetyloxy-2-(acetyloxymethyl)-4-(4-chlorophenoxy)-2-methyl-4-(1,2,4-triazol-1-yl)butyl] acetate Traditional Name: acetic acid [3-acetoxy-2-(acetoxymethyl)-4-(4-chlorophenoxy)-2-methyl-4-(1,2,4-triazol-1-yl)butyl] ester Formula: C20H24ClN3O7 MolecularWeight: 453.87346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(COC(=O)C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)OC(=O)C

Isomeric SMILES

CC(=O)OCC(C)(COC(=O)C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)OC(=O)C

InChI

InChI=1S/C20H24ClN3O7/c1-13(25)28-9-20(4,10-29-14(2)26)18(30-15(3)27)19(24-12-22-11-23-24)31-17-7-5-16(21)6-8-17/h5-8,11-12,18-19H,9-10H2,1-4H3