6-butyl-2-(4-fluorophenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(4-fluorophenyl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(4-fluorophenyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(4-fluorophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(4-fluorophenyl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(4-fluorophenyl)cinchoninic acid Formula: C20H18FNO2 MolecularWeight: 323.360823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FNO2/c1-2-3-4-13-5-10-18-16(11-13)17(20(23)24)12-19(22-18)14-6-8-15(21)9-7-14/h5-12H,2-4H2,1H3,(H,23,24)