6-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(2,3,4-trimethoxybenzyl)piperazino]methyl]sesamol Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC4=C(C=C3O)OCO4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC4=C(C=C3O)OCO4)OC)OC

InChI

InChI=1S/C22H28N2O6/c1-26-18-5-4-15(21(27-2)22(18)28-3)12-23-6-8-24(9-7-23)13-16-10-19-20(11-17(16)25)30-14-29-19/h4-5,10-11,25H,6-9,12-14H2,1-3H3