sodium 6-fluoranyl-3-methyl-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxylate

Systemtic Name: sodium 6-fluoranyl-3-methyl-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-3-methyl-2-[4-(3-pyridyl)phenyl]quinoline-4-carboxylate CAS Name: sodium 6-fluoro-3-methyl-2-[4-(3-pyridinyl)phenyl]-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-3-methyl-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxylate Traditional Name: sodium 6-fluoro-3-methyl-2-[4-(3-pyridyl)phenyl]cinchoninate Formula: C22H14FN2NaO2 MolecularWeight: 380.346933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)C3=CC=C(C=C3)C4=CN=CC=C4.[Na+]

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)C3=CC=C(C=C3)C4=CN=CC=C4.[Na+]

InChI

InChI=1S/C22H15FN2O2.Na/c1-13-20(22(26)27)18-11-17(23)8-9-19(18)25-21(13)15-6-4-14(5-7-15)16-3-2-10-24-12-16;/h2-12H,1H3,(H,26,27);/q;+1/p-1