sodium 6-fluoranyl-3-methyl-2-[(3-phenylphenyl)amino]quinoline-4-carboxylate

Systemtic Name: sodium 6-fluoranyl-3-methyl-2-[(3-phenylphenyl)amino]quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-3-methyl-2-(3-phenylanilino)quinoline-4-carboxylate CAS Name: sodium 6-fluoro-3-methyl-2-(3-phenylanilino)-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-3-methyl-2-(3-phenylanilino)quinoline-4-carboxylate Traditional Name: sodium 6-fluoro-3-methyl-2-(3-phenylanilino)cinchoninate Formula: C23H16FN2NaO2 MolecularWeight: 394.373513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)NC3=CC=CC(=C3)C4=CC=CC=C4.[Na+]

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)NC3=CC=CC(=C3)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C23H17FN2O2.Na/c1-14-21(23(27)28)19-13-17(24)10-11-20(19)26-22(14)25-18-9-5-8-16(12-18)15-6-3-2-4-7-15;/h2-13H,1H3,(H,25,26)(H,27,28);/q;+1/p-1