sodium 6-fluoranyl-3-methyl-2-(4-phenylindol-1-yl)quinoline-4-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)N3C=CC4=C(C=CC=C43)C5=CC=CC=C5.[Na+]

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)N3C=CC4=C(C=CC=C43)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C25H17FN2O2.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;/h2-14H,1H3,(H,29,30);/q;+1/p-1