sodium 6-fluoranyl-3-methyl-2-(7-phenyl-1H-indol-3-yl)quinoline-4-carboxylate

Systemtic Name: sodium 6-fluoranyl-3-methyl-2-(7-phenyl-1H-indol-3-yl)quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-3-methyl-2-(7-phenyl-1H-indol-3-yl)quinoline-4-carboxylate CAS Name: sodium 6-fluoro-3-methyl-2-(7-phenyl-1H-indol-3-yl)-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-3-methyl-2-(7-phenyl-1H-indol-3-yl)quinoline-4-carboxylate Traditional Name: sodium 6-fluoro-3-methyl-2-(7-phenyl-1H-indol-3-yl)cinchoninate Formula: C25H16FN2NaO2 MolecularWeight: 418.394913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)C3=CNC4=C3C=CC=C4C5=CC=CC=C5.[Na+]

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)C3=CNC4=C3C=CC=C4C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C25H17FN2O2.Na/c1-14-22(25(29)30)19-12-16(26)10-11-21(19)28-23(14)20-13-27-24-17(8-5-9-18(20)24)15-6-3-2-4-7-15;/h2-13,27H,1H3,(H,29,30);/q;+1/p-1