1-[[2-(5-methoxy-2-benzofuran-1-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole

Systemtic Name: 1-[[2-(5-methoxy-2-benzofuran-1-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole Openeye Name: 1-[[2-(5-methoxyisobenzofuran-1-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole CAS Name: 1-[[2-(5-methoxy-1-isobenzofuranyl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole IUPAC Name: 1-[[2-(5-methoxy-2-benzofuran-1-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole Traditional Name: 1-[[2-(5-methoxyisobenzofuran-1-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=COC(=C2C=C1)C3(OCCCO3)CN4C=NC=N4

Isomeric SMILES

COC1=CC2=COC(=C2C=C1)C3(OCCCO3)CN4C=NC=N4

InChI

InChI=1S/C16H17N3O4/c1-20-13-3-4-14-12(7-13)8-21-15(14)16(22-5-2-6-23-16)9-19-11-17-10-18-19/h3-4,7-8,10-11H,2,5-6,9H2,1H3