6-[(3,5-ditert-butyl-4-oxidanyl-phenyl)-morpholin-4-yl-methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[(3,5-ditert-butyl-4-oxidanyl-phenyl)-morpholin-4-yl-methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(3,5-ditert-butyl-4-hydroxy-phenyl)-morpholino-methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(3,5-ditert-butyl-4-hydroxyphenyl)-(4-morpholinyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(3,5-ditert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(3,5-ditert-butyl-4-hydroxy-phenyl)-morpholino-methyl]sesamol Formula: C26H35NO5 MolecularWeight: 441.5598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC3=C(C=C2O)OCO3)N4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC3=C(C=C2O)OCO3)N4CCOCC4

InChI

InChI=1S/C26H35NO5/c1-25(2,3)18-11-16(12-19(24(18)29)26(4,5)6)23(27-7-9-30-10-8-27)17-13-21-22(14-20(17)28)32-15-31-21/h11-14,23,28-29H,7-10,15H2,1-6H3