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

Systemtic Name: sodium 6-fluoranyl-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate CAS Name: sodium 6-fluoro-3-methyl-2-(4-phenyl-1-benzimidazolyl)-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate Traditional Name: sodium 6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)cinchoninate Formula: C24H15FN3NaO2 MolecularWeight: 419.382973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)N3C=NC4=C(C=CC=C43)C5=CC=CC=C5.[Na+]

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)N3C=NC4=C(C=CC=C43)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C24H16FN3O2.Na/c1-14-21(24(29)30)18-12-16(25)10-11-19(18)27-23(14)28-13-26-22-17(8-5-9-20(22)28)15-6-3-2-4-7-15;/h2-13H,1H3,(H,29,30);/q;+1/p-1