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

Systemtic Name: sodium 6-fluoranyl-3-methyl-2-(1-methyl-7-phenyl-indol-3-yl)quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenyl-indol-3-yl)quinoline-4-carboxylate CAS Name: sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenyl-3-indolyl)-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenylindol-3-yl)quinoline-4-carboxylate Traditional Name: sodium 6-fluoro-3-methyl-2-(1-methyl-7-phenyl-indol-3-yl)cinchoninate Formula: C26H18FN2NaO2 MolecularWeight: 432.421493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)C3=CN(C4=C3C=CC=C4C5=CC=CC=C5)C.[Na+]

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)C3=CN(C4=C3C=CC=C4C5=CC=CC=C5)C.[Na+]

InChI

InChI=1S/C26H19FN2O2.Na/c1-15-23(26(30)31)20-13-17(27)11-12-22(20)28-24(15)21-14-29(2)25-18(9-6-10-19(21)25)16-7-4-3-5-8-16;/h3-14H,1-2H3,(H,30,31);/q;+1/p-1