6-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]methyl]sesamol Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC3=C(C=C2O)OCO3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H](N(C1)CC2=CC3=C(C=C2O)OCO3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C21H23NO5/c23-17-11-21-20(26-13-27-21)10-15(17)12-22-6-1-3-16(22)14-4-5-18-19(9-14)25-8-2-7-24-18/h4-5,9-11,16,23H,1-3,6-8,12-13H2/t16-/m0/s1