sodium 6-fluoranyl-2-(4-imidazol-1-ylphenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: sodium 6-fluoranyl-2-(4-imidazol-1-ylphenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-2-(4-imidazol-1-ylphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: sodium 6-fluoro-2-[4-(1-imidazolyl)phenyl]-3-methyl-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-2-(4-imidazol-1-ylphenyl)-3-methylquinoline-4-carboxylate Traditional Name: sodium 6-fluoro-2-(4-imidazol-1-ylphenyl)-3-methyl-cinchoninate Formula: C20H13FN3NaO2 MolecularWeight: 369.324293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)C3=CC=C(C=C3)N4C=CN=C4.[Na+]

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)C3=CC=C(C=C3)N4C=CN=C4.[Na+]

InChI

InChI=1S/C20H14FN3O2.Na/c1-12-18(20(25)26)16-10-14(21)4-7-17(16)23-19(12)13-2-5-15(6-3-13)24-9-8-22-11-24;/h2-11H,1H3,(H,25,26);/q;+1/p-1