6-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidyl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidino]methyl]sesamol Formula: C23H29NO5 MolecularWeight: 399.48006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC2CCN(CC2)CC3=CC4=C(C=C3O)OCO4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC2CCN(CC2)CC3=CC4=C(C=C3O)OCO4)OC

InChI

InChI=1S/C23H29NO5/c1-26-19-9-17(10-20(12-19)27-2)4-3-16-5-7-24(8-6-16)14-18-11-22-23(13-21(18)25)29-15-28-22/h9-13,16,25H,3-8,14-15H2,1-2H3