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

Systemtic Name: sodium 6-fluoranyl-3-methyl-2-[1-methyl-7-[3-(trifluoromethyl)phenyl]indol-3-yl]quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-3-methyl-2-[1-methyl-7-[3-(trifluoromethyl)phenyl]indol-3-yl]quinoline-4-carboxylate CAS Name: sodium 6-fluoro-3-methyl-2-[1-methyl-7-[3-(trifluoromethyl)phenyl]-3-indolyl]-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-3-methyl-2-[1-methyl-7-[3-(trifluoromethyl)phenyl]indol-3-yl]quinoline-4-carboxylate Traditional Name: sodium 6-fluoro-3-methyl-2-[1-methyl-7-[3-(trifluoromethyl)phenyl]indol-3-yl]cinchoninate Formula: C27H17F4N2NaO2 MolecularWeight: 500.419463

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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(F)(F)F)C.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C27H18F4N2O2.Na/c1-14-23(26(34)35)20-12-17(28)9-10-22(20)32-24(14)21-13-33(2)25-18(7-4-8-19(21)25)15-5-3-6-16(11-15)27(29,30)31;/h3-13H,1-2H3,(H,34,35);/q;+1/p-1