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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=C2)C3(OCCCO3)CC4=NC=NN4

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=C2)C3(OCCCO3)CC4=NC=NN4

InChI

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