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

Systemtic Name: sodium 2-[ethanoyl-(3-phenylphenyl)amino]-6-fluoranyl-3-methyl-quinoline-4-carboxylate Openeye Name: sodium 2-(N-acetyl-3-phenyl-anilino)-6-fluoro-3-methyl-quinoline-4-carboxylate CAS Name: sodium 2-(N-acetyl-3-phenylanilino)-6-fluoro-3-methyl-4-quinolinecarboxylate IUPAC Name: sodium 2-(N-acetyl-3-phenylanilino)-6-fluoro-3-methylquinoline-4-carboxylate Traditional Name: sodium 2-(N-acetyl-3-phenyl-anilino)-6-fluoro-3-methyl-cinchoninate Formula: C25H18FN2NaO3 MolecularWeight: 436.410193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19FN2O3.Na/c1-15-23(25(30)31)21-14-19(26)11-12-22(21)27-24(15)28(16(2)29)20-10-6-9-18(13-20)17-7-4-3-5-8-17;/h3-14H,1-2H3,(H,30,31);/q;+1/p-1