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

Systemtic Name: 1-[[2-(1-benzofuran-2-yl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole Openeye Name: 1-[[2-(benzofuran-2-yl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole CAS Name: 1-[[2-(2-benzofuranyl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole IUPAC Name: 1-[[2-(1-benzofuran-2-yl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole Traditional Name: 1-[[2-(benzofuran-2-yl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(COC(OC1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)CC

Isomeric SMILES

CCCCC1(COC(OC1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)CC

InChI

InChI=1S/C21H27N3O3/c1-3-5-10-20(4-2)13-25-21(26-14-20,12-24-16-22-15-23-24)19-11-17-8-6-7-9-18(17)27-19/h6-9,11,15-16H,3-5,10,12-14H2,1-2H3