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

Systemtic Name: 1-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]pyridin-2-yl]-2-oxidanylidene-quinoline-4-carboxylic acid Openeye Name: 1-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthyl]-2-pyridyl]-2-oxo-quinoline-4-carboxylic acid CAS Name: 1-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthalenyl]-2-pyridinyl]-2-oxo-4-quinolinecarboxylic acid IUPAC Name: 1-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]pyridin-2-yl]-2-oxoquinoline-4-carboxylic acid Traditional Name: 1-[4-(6,7-dimethoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]-2-keto-cinchoninic acid Formula: C29H24N2O7 MolecularWeight: 512.51006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=NC=C3)N4C5=CC=CC=C5C(=CC4=O)C(=O)O)CO)CO

Isomeric SMILES

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=NC=C3)N4C5=CC=CC=C5C(=CC4=O)C(=O)O)CO)CO

InChI

InChI=1S/C29H24N2O7/c1-37-24-10-17-9-18(14-32)22(15-33)28(20(17)12-25(24)38-2)16-7-8-30-26(11-16)31-23-6-4-3-5-19(23)21(29(35)36)13-27(31)34/h3-13,32-33H,14-15H2,1-2H3,(H,35,36)