2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]pyridin-2-yl]cyclohexane-1,3-dione

Systemtic Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]pyridin-2-yl]cyclohexane-1,3-dione Openeye Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthyl]-2-pyridyl]cyclohexane-1,3-dione CAS Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthalenyl]-2-pyridinyl]cyclohexane-1,3-dione IUPAC Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]pyridin-2-yl]cyclohexane-1,3-dione Traditional Name: 2-[4-(6,7-dimethoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]cyclohexane-1,3-quinone Formula: C25H25NO6 MolecularWeight: 435.4691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=NC=C3)C4C(=O)CCCC4=O)CO)CO

Isomeric SMILES

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=NC=C3)C4C(=O)CCCC4=O)CO)CO

InChI

InChI=1S/C25H25NO6/c1-31-22-10-15-8-16(12-27)18(13-28)24(17(15)11-23(22)32-2)14-6-7-26-19(9-14)25-20(29)4-3-5-21(25)30/h6-11,25,27-28H,3-5,12-13H2,1-2H3