sodium 2-(4-cyclohexylphenyl)-6-fluoranyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: sodium 2-(4-cyclohexylphenyl)-6-fluoranyl-3-methyl-quinoline-4-carboxylate Openeye Name: sodium 2-(4-cyclohexylphenyl)-6-fluoro-3-methyl-quinoline-4-carboxylate CAS Name: sodium 2-(4-cyclohexylphenyl)-6-fluoro-3-methyl-4-quinolinecarboxylate IUPAC Name: sodium 2-(4-cyclohexylphenyl)-6-fluoro-3-methylquinoline-4-carboxylate Traditional Name: sodium 2-(4-cyclohexylphenyl)-6-fluoro-3-methyl-cinchoninate Formula: C23H21FNNaO2 MolecularWeight: 385.406513

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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)C4CCCCC4.[Na+]

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)C3=CC=C(C=C3)C4CCCCC4.[Na+]

InChI

InChI=1S/C23H22FNO2.Na/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15;/h7-13,15H,2-6H2,1H3,(H,26,27);/q;+1/p-1