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

Systemtic Name: sodium 6-fluoranyl-2-(3-fluoranyl-4-phenyl-phenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-2-(3-fluoro-4-phenyl-phenyl)-3-methyl-quinoline-4-carboxylate CAS Name: sodium 6-fluoro-2-(3-fluoro-4-phenylphenyl)-3-methyl-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-2-(3-fluoro-4-phenylphenyl)-3-methylquinoline-4-carboxylate Traditional Name: sodium 6-fluoro-2-(3-fluoro-4-phenyl-phenyl)-3-methyl-cinchoninate Formula: C23H14F2NNaO2 MolecularWeight: 397.349336

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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=CC=CC=C4)F.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C23H15F2NO2.Na/c1-13-21(23(27)28)18-12-16(24)8-10-20(18)26-22(13)15-7-9-17(19(25)11-15)14-5-3-2-4-6-14;/h2-12H,1H3,(H,27,28);/q;+1/p-1