[1-(5-methyl-1,3-dioxan-5-yl)-3-phenyl-2-(1,2,4-triazol-1-yl)propyl] ethanoate

Systemtic Name: [1-(5-methyl-1,3-dioxan-5-yl)-3-phenyl-2-(1,2,4-triazol-1-yl)propyl] ethanoate Openeye Name: [1-(5-methyl-1,3-dioxan-5-yl)-3-phenyl-2-(1,2,4-triazol-1-yl)propyl] acetate CAS Name: acetic acid [1-(5-methyl-1,3-dioxan-5-yl)-3-phenyl-2-(1,2,4-triazol-1-yl)propyl] ester IUPAC Name: [1-(5-methyl-1,3-dioxan-5-yl)-3-phenyl-2-(1,2,4-triazol-1-yl)propyl] acetate Traditional Name: acetic acid [1-(5-methyl-1,3-dioxan-5-yl)-3-phenyl-2-(1,2,4-triazol-1-yl)propyl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(CC1=CC=CC=C1)N2C=NC=N2)C3(COCOC3)C

Isomeric SMILES

CC(=O)OC(C(CC1=CC=CC=C1)N2C=NC=N2)C3(COCOC3)C

InChI

InChI=1S/C18H23N3O4/c1-14(22)25-17(18(2)9-23-13-24-10-18)16(21-12-19-11-20-21)8-15-6-4-3-5-7-15/h3-7,11-12,16-17H,8-10,13H2,1-2H3