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

Systemtic Name: 6-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(S)-morpholino-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(S)-4-morpholinyl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(S)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(S)-morpholino-(3,4,5-trimethoxyphenyl)methyl]sesamol Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2O)OCO3)N4CCOCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@@H](C2=CC3=C(C=C2O)OCO3)N4CCOCC4

InChI

InChI=1S/C21H25NO7/c1-24-18-8-13(9-19(25-2)21(18)26-3)20(22-4-6-27-7-5-22)14-10-16-17(11-15(14)23)29-12-28-16/h8-11,20,23H,4-7,12H2,1-3H3/t20-/m0/s1