5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-5-(pyridin-4-ylmethyl)-1,3-dioxane-4,6-dione

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-5-(pyridin-4-ylmethyl)-1,3-dioxane-4,6-dione Openeye Name: 5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-5-(4-pyridylmethyl)-1,3-dioxane-4,6-dione CAS Name: 5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-5-(pyridin-4-ylmethyl)-1,3-dioxane-4,6-dione IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-5-(pyridin-4-ylmethyl)-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-(4-pyridylmethyl)-5-veratryl-1,3-dioxane-4,6-quinone Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)(CC2=CC=NC=C2)CC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)(CC2=CC=NC=C2)CC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C21H23NO6/c1-20(2)27-18(23)21(19(24)28-20,12-14-7-9-22-10-8-14)13-15-5-6-16(25-3)17(11-15)26-4/h5-11H,12-13H2,1-4H3