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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(O2)C3(OCCCO3)CC4=NC=NN4)OC

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(O2)C3(OCCCO3)CC4=NC=NN4)OC

InChI

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