6,8-dimethyl-2-pyridin-4-yl-quinoline-4-carboxylate

Systemtic Name: 6,8-dimethyl-2-pyridin-4-yl-quinoline-4-carboxylate Openeye Name: 6,8-dimethyl-2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-pyridin-4-yl-4-quinolinecarboxylate IUPAC Name: 6,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-(4-pyridyl)cinchoninate Formula: C17H13N2O2- MolecularWeight: 277.29732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)[O-])C

InChI

InChI=1S/C17H14N2O2/c1-10-7-11(2)16-13(8-10)14(17(20)21)9-15(19-16)12-3-5-18-6-4-12/h3-9H,1-2H3,(H,20,21)/p-1