1-[1-(4-ethoxyphenyl)-5,5-dimethyl-4-prop-2-enoxy-hexan-3-yl]-1,2,4-triazole

Systemtic Name: 1-[1-(4-ethoxyphenyl)-5,5-dimethyl-4-prop-2-enoxy-hexan-3-yl]-1,2,4-triazole Openeye Name: 1-[2-allyloxy-1-[2-(4-ethoxyphenyl)ethyl]-3,3-dimethyl-butyl]-1,2,4-triazole CAS Name: 1-[1-(4-ethoxyphenyl)-5,5-dimethyl-4-prop-2-enoxyhexan-3-yl]-1,2,4-triazole IUPAC Name: 1-[1-(4-ethoxyphenyl)-5,5-dimethyl-4-prop-2-enoxyhexan-3-yl]-1,2,4-triazole Traditional Name: 1-[2-allyloxy-3,3-dimethyl-1-(2-p-phenetylethyl)butyl]-1,2,4-triazole Formula: C21H31N3O2 MolecularWeight: 357.48974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC(C(C(C)(C)C)OCC=C)N2C=NC=N2

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC(C(C(C)(C)C)OCC=C)N2C=NC=N2

InChI

InChI=1S/C21H31N3O2/c1-6-14-26-20(21(3,4)5)19(24-16-22-15-23-24)13-10-17-8-11-18(12-9-17)25-7-2/h6,8-9,11-12,15-16,19-20H,1,7,10,13-14H2,2-5H3