tert-butyl 1-[2-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]-1H-pyridin-2-yl]-2-oxidanylidene-quinoline-4-carboxylate

Systemtic Name: tert-butyl 1-[2-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]-1H-pyridin-2-yl]-2-oxidanylidene-quinoline-4-carboxylate Openeye Name: tert-butyl 1-[2-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthyl]-1H-pyridin-2-yl]-2-oxo-quinoline-4-carboxylate CAS Name: 1-[2-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthalenyl]-1H-pyridin-2-yl]-2-oxo-4-quinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-1H-pyridin-2-yl]-2-oxoquinoline-4-carboxylate Traditional Name: 1-[2-(6,7-dimethoxy-2,3-dimethylol-1-naphthyl)-1H-pyridin-2-yl]-2-keto-cinchoninic acid tert-butyl ester Formula: C33H34N2O7 MolecularWeight: 570.63226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=O)N(C2=CC=CC=C21)C3(C=CC=CN3)C4=C5C=C(C(=CC5=CC(=C4CO)CO)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=O)N(C2=CC=CC=C21)C3(C=CC=CN3)C4=C5C=C(C(=CC5=CC(=C4CO)CO)OC)OC

InChI

InChI=1S/C33H34N2O7/c1-32(2,3)42-31(39)24-17-29(38)35(26-11-7-6-10-22(24)26)33(12-8-9-13-34-33)30-23-16-28(41-5)27(40-4)15-20(23)14-21(18-36)25(30)19-37/h6-17,34,36-37H,18-19H2,1-5H3