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

Systemtic Name: [1-(5-methyl-1,3-dioxan-5-yl)-3-naphthalen-1-yl-2-(1,2,4-triazol-1-yl)propyl] propanoate Openeye Name: [1-(5-methyl-1,3-dioxan-5-yl)-3-(1-naphthyl)-2-(1,2,4-triazol-1-yl)propyl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [1-(5-methyl-1,3-dioxan-5-yl)-3-(1-naphthyl)-2-(1,2,4-triazol-1-yl)propyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-3-21(27)30-22(23(2)12-28-16-29-13-23)20(26-15-24-14-25-26)11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,14-15,20,22H,3,11-13,16H2,1-2H3