6-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]sesamol Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)CC3=CC4=C(C=C3O)OCO4)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)CC3=CC4=C(C=C3O)OCO4)OCC

InChI

InChI=1S/C21H25NO5/c1-3-24-18-7-14-5-6-22(11-15(14)8-19(18)25-4-2)12-16-9-20-21(10-17(16)23)27-13-26-20/h7-10,23H,3-6,11-13H2,1-2H3