2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]-2-oxidanylidene-pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]-2-oxidanylidene-pyridin-1-yl]ethanoic acid Openeye Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthyl]-2-oxo-1-pyridyl]acetic acid CAS Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthalenyl]-2-oxo-1-pyridinyl]acetic acid IUPAC Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2-oxopyridin-1-yl]acetic acid Traditional Name: 2-[4-(6,7-dimethoxy-2,3-dimethylol-1-naphthyl)-2-keto-1-pyridyl]acetic acid Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=O)N(C=C3)CC(=O)O)CO)CO

Isomeric SMILES

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=O)N(C=C3)CC(=O)O)CO)CO

InChI

InChI=1S/C21H21NO7/c1-28-17-6-13-5-14(10-23)16(11-24)21(15(13)8-18(17)29-2)12-3-4-22(9-20(26)27)19(25)7-12/h3-8,23-24H,9-11H2,1-2H3,(H,26,27)