2-[1,3-benzodioxol-5-yl(oxan-2-yloxy)methyl]-1-methyl-3-phenylmethoxy-pyridin-4-one

Systemtic Name: 2-[1,3-benzodioxol-5-yl(oxan-2-yloxy)methyl]-1-methyl-3-phenylmethoxy-pyridin-4-one Openeye Name: 2-[1,3-benzodioxol-5-yl(tetrahydropyran-2-yloxy)methyl]-3-benzyloxy-1-methyl-pyridin-4-one CAS Name: 2-[1,3-benzodioxol-5-yl(2-oxanyloxy)methyl]-1-methyl-3-phenylmethoxy-4-pyridinone IUPAC Name: 2-[1,3-benzodioxol-5-yl(oxan-2-yloxy)methyl]-1-methyl-3-phenylmethoxypyridin-4-one Traditional Name: 2-[1,3-benzodioxol-5-yl(tetrahydropyran-2-yloxy)methyl]-3-benzoxy-1-methyl-4-pyridone Formula: C26H27NO6 MolecularWeight: 449.49568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=O)C(=C1C(C2=CC3=C(C=C2)OCO3)OC4CCCCO4)OCC5=CC=CC=C5

Isomeric SMILES

CN1C=CC(=O)C(=C1C(C2=CC3=C(C=C2)OCO3)OC4CCCCO4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H27NO6/c1-27-13-12-20(28)26(30-16-18-7-3-2-4-8-18)24(27)25(33-23-9-5-6-14-29-23)19-10-11-21-22(15-19)32-17-31-21/h2-4,7-8,10-13,15,23,25H,5-6,9,14,16-17H2,1H3