sodium 6-fluoranyl-3-methyl-2-(4-phenyl-2,3-dihydroindol-1-yl)quinoline-4-carboxylate

Systemtic Name: sodium 6-fluoranyl-3-methyl-2-(4-phenyl-2,3-dihydroindol-1-yl)quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-3-methyl-2-(4-phenylindolin-1-yl)quinoline-4-carboxylate CAS Name: sodium 6-fluoro-3-methyl-2-(4-phenyl-2,3-dihydroindol-1-yl)-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-3-methyl-2-(4-phenyl-2,3-dihydroindol-1-yl)quinoline-4-carboxylate Traditional Name: sodium 6-fluoro-3-methyl-2-(4-phenylindolin-1-yl)cinchoninate Formula: C25H18FN2NaO2 MolecularWeight: 420.410793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)N3CCC4=C(C=CC=C43)C5=CC=CC=C5.[Na+]

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)N3CCC4=C(C=CC=C43)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C25H19FN2O2.Na/c1-15-23(25(29)30)20-14-17(26)10-11-21(20)27-24(15)28-13-12-19-18(8-5-9-22(19)28)16-6-3-2-4-7-16;/h2-11,14H,12-13H2,1H3,(H,29,30);/q;+1/p-1