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

Systemtic Name: sodium 6-fluoranyl-3-methyl-2-[4-(2-methylphenyl)-2,3-dihydroindol-1-yl]quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-3-methyl-2-[4-(o-tolyl)indolin-1-yl]quinoline-4-carboxylate CAS Name: sodium 6-fluoro-3-methyl-2-[4-(2-methylphenyl)-2,3-dihydroindol-1-yl]-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-3-methyl-2-[4-(2-methylphenyl)-2,3-dihydroindol-1-yl]quinoline-4-carboxylate Traditional Name: sodium 6-fluoro-3-methyl-2-[4-(o-tolyl)indolin-1-yl]cinchoninate Formula: C26H20FN2NaO2 MolecularWeight: 434.437373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3CCN(C3=CC=C2)C4=C(C(=C5C=C(C=CC5=N4)F)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=CC=CC=C1C2=C3CCN(C3=CC=C2)C4=C(C(=C5C=C(C=CC5=N4)F)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C26H21FN2O2.Na/c1-15-6-3-4-7-18(15)19-8-5-9-23-20(19)12-13-29(23)25-16(2)24(26(30)31)21-14-17(27)10-11-22(21)28-25;/h3-11,14H,12-13H2,1-2H3,(H,30,31);/q;+1/p-1