1-[1-(5-methyl-1,3-dioxan-5-yl)-1-pentoxy-3-phenyl-propan-2-yl]-1,2,4-triazole

Systemtic Name: 1-[1-(5-methyl-1,3-dioxan-5-yl)-1-pentoxy-3-phenyl-propan-2-yl]-1,2,4-triazole Openeye Name: 1-[1-benzyl-2-(5-methyl-1,3-dioxan-5-yl)-2-pentoxy-ethyl]-1,2,4-triazole CAS Name: 1-[1-(5-methyl-1,3-dioxan-5-yl)-1-pentoxy-3-phenylpropan-2-yl]-1,2,4-triazole IUPAC Name: 1-[1-(5-methyl-1,3-dioxan-5-yl)-1-pentoxy-3-phenylpropan-2-yl]-1,2,4-triazole Traditional Name: 1-[2-amoxy-1-benzyl-2-(5-methyl-1,3-dioxan-5-yl)ethyl]-1,2,4-triazole Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(C(CC1=CC=CC=C1)N2C=NC=N2)C3(COCOC3)C

Isomeric SMILES

CCCCCOC(C(CC1=CC=CC=C1)N2C=NC=N2)C3(COCOC3)C

InChI

InChI=1S/C21H31N3O3/c1-3-4-8-11-27-20(21(2)13-25-17-26-14-21)19(24-16-22-15-23-24)12-18-9-6-5-7-10-18/h5-7,9-10,15-16,19-20H,3-4,8,11-14,17H2,1-2H3