1-[[2-(7-methoxy-5-methyl-2-benzofuran-1-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole

Systemtic Name: 1-[[2-(7-methoxy-5-methyl-2-benzofuran-1-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole Openeye Name: 1-[[2-(7-methoxy-5-methyl-isobenzofuran-1-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole CAS Name: 1-[[2-(7-methoxy-5-methyl-1-isobenzofuranyl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole IUPAC Name: 1-[[2-(7-methoxy-5-methyl-2-benzofuran-1-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole Traditional Name: 1-[[2-(7-methoxy-5-methyl-isobenzofuran-1-yl)-1,3-dioxan-2-yl]methyl]-1,2,4-triazole Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=COC(=C2C(=C1)OC)C3(OCCCO3)CN4C=NC=N4

Isomeric SMILES

CC1=CC2=COC(=C2C(=C1)OC)C3(OCCCO3)CN4C=NC=N4

InChI

InChI=1S/C17H19N3O4/c1-12-6-13-8-22-16(15(13)14(7-12)21-2)17(23-4-3-5-24-17)9-20-11-18-10-19-20/h6-8,10-11H,3-5,9H2,1-2H3