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

Systemtic Name: tert-butyl 1-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]pyridin-2-yl]-2-oxidanylidene-quinoline-4-carboxylate Openeye Name: tert-butyl 1-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthyl]-2-pyridyl]-2-oxo-quinoline-4-carboxylate CAS Name: 1-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthalenyl]-2-pyridinyl]-2-oxo-4-quinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]pyridin-2-yl]-2-oxoquinoline-4-carboxylate Traditional Name: 1-[4-(6,7-dimethoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]-2-keto-cinchoninic acid tert-butyl ester Formula: C33H32N2O7 MolecularWeight: 568.61638

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H32N2O7/c1-33(2,3)42-32(39)24-16-30(38)35(26-9-7-6-8-22(24)26)29-14-19(10-11-34-29)31-23-15-28(41-5)27(40-4)13-20(23)12-21(17-36)25(31)18-37/h6-16,36-37H,17-18H2,1-5H3