sodium 6-fluoranyl-3-methyl-2-[(3-phenylphenyl)methoxy]quinoline-4-carboxylate

Systemtic Name: sodium 6-fluoranyl-3-methyl-2-[(3-phenylphenyl)methoxy]quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-3-methyl-2-[(3-phenylphenyl)methoxy]quinoline-4-carboxylate CAS Name: sodium 6-fluoro-3-methyl-2-[(3-phenylphenyl)methoxy]-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-3-methyl-2-[(3-phenylphenyl)methoxy]quinoline-4-carboxylate Traditional Name: sodium 6-fluoro-3-methyl-2-(3-phenylbenzyl)oxy-cinchoninate Formula: C24H17FNNaO3 MolecularWeight: 409.384853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)OCC3=CC=CC(=C3)C4=CC=CC=C4.[Na+]

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)OCC3=CC=CC(=C3)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C24H18FNO3.Na/c1-15-22(24(27)28)20-13-19(25)10-11-21(20)26-23(15)29-14-16-6-5-9-18(12-16)17-7-3-2-4-8-17;/h2-13H,14H2,1H3,(H,27,28);/q;+1/p-1