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

Systemtic Name: sodium 6-fluoranyl-3-methyl-2-[methyl-(3-phenylphenyl)amino]quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-3-methyl-2-(N-methyl-3-phenyl-anilino)quinoline-4-carboxylate CAS Name: sodium 6-fluoro-3-methyl-2-(N-methyl-3-phenylanilino)-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-3-methyl-2-(N-methyl-3-phenylanilino)quinoline-4-carboxylate Traditional Name: sodium 6-fluoro-3-methyl-2-(N-methyl-3-phenyl-anilino)cinchoninate Formula: C24H18FN2NaO2 MolecularWeight: 408.400093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19FN2O2.Na/c1-15-22(24(28)29)20-14-18(25)11-12-21(20)26-23(15)27(2)19-10-6-9-17(13-19)16-7-4-3-5-8-16;/h3-14H,1-2H3,(H,28,29);/q;+1/p-1