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

Systemtic Name: [1-(5-methyl-1,3-dioxan-5-yl)-3-naphthalen-1-yl-2-(1,2,4-triazol-1-yl)propyl] ethanoate Openeye Name: [1-(5-methyl-1,3-dioxan-5-yl)-3-(1-naphthyl)-2-(1,2,4-triazol-1-yl)propyl] acetate CAS Name: acetic acid [1-(5-methyl-1,3-dioxan-5-yl)-3-(1-naphthalenyl)-2-(1,2,4-triazol-1-yl)propyl] ester IUPAC Name: [1-(5-methyl-1,3-dioxan-5-yl)-3-naphthalen-1-yl-2-(1,2,4-triazol-1-yl)propyl] acetate Traditional Name: acetic acid [1-(5-methyl-1,3-dioxan-5-yl)-3-(1-naphthyl)-2-(1,2,4-triazol-1-yl)propyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(CC1=CC=CC2=CC=CC=C21)N3C=NC=N3)C4(COCOC4)C

Isomeric SMILES

CC(=O)OC(C(CC1=CC=CC2=CC=CC=C21)N3C=NC=N3)C4(COCOC4)C

InChI

InChI=1S/C22H25N3O4/c1-16(26)29-21(22(2)11-27-15-28-12-22)20(25-14-23-13-24-25)10-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,13-14,20-21H,10-12,15H2,1-2H3