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

Systemtic Name: 1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole Openeye Name: 1-[[2-(benzofuran-2-yl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole CAS Name: 1-[[2-(2-benzofuranyl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole IUPAC Name: 1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole Traditional Name: 1-[[2-(benzofuran-2-yl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(COC(O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)(C)C

Isomeric SMILES

CCCC1C(COC(O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)(C)C

InChI

InChI=1S/C20H25N3O3/c1-4-7-17-19(2,3)12-24-20(26-17,11-23-14-21-13-22-23)18-10-15-8-5-6-9-16(15)25-18/h5-6,8-10,13-14,17H,4,7,11-12H2,1-3H3