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

Systemtic Name: 6-[pyrrolidin-1-yl-(2,3,4-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[pyrrolidin-1-yl-(2,3,4-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[1-pyrrolidinyl-(2,3,4-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[pyrrolidin-1-yl-(2,3,4-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[pyrrolidino-(2,3,4-trimethoxyphenyl)methyl]sesamol Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)N4CCCC4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)N4CCCC4)OC)OC

InChI

InChI=1S/C21H25NO6/c1-24-16-7-6-13(20(25-2)21(16)26-3)19(22-8-4-5-9-22)14-10-17-18(11-15(14)23)28-12-27-17/h6-7,10-11,19,23H,4-5,8-9,12H2,1-3H3