3-(diethylamino)-6-fluoranyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-(diethylamino)-6-fluoranyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 3-(diethylamino)-6-fluoro-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 3-(diethylamino)-6-fluoro-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(diethylamino)-6-fluoro-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-(diethylamino)-6-fluoro-2-(p-tolyl)cinchoninic acid Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(N=C2C=CC(=CC2=C1C(=O)O)F)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)C1=C(N=C2C=CC(=CC2=C1C(=O)O)F)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21FN2O2/c1-4-24(5-2)20-18(21(25)26)16-12-15(22)10-11-17(16)23-19(20)14-8-6-13(3)7-9-14/h6-12H,4-5H2,1-3H3,(H,25,26)