6-fluoranyl-3-hexanoyloxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-fluoranyl-3-hexanoyloxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-fluoro-3-hexanoyloxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid CAS Name: 6-fluoro-3-(1-oxohexoxy)-2-(4-phenylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-fluoro-3-hexanoyloxy-2-(4-phenylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-caproyloxy-6-fluoro-2-(4-phenylphenyl)cinchoninic acid Formula: C28H24FNO4 MolecularWeight: 457.492863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(N=C2C=CC(=CC2=C1C(=O)O)F)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(=O)OC1=C(N=C2C=CC(=CC2=C1C(=O)O)F)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H24FNO4/c1-2-3-5-10-24(31)34-27-25(28(32)33)22-17-21(29)15-16-23(22)30-26(27)20-13-11-19(12-14-20)18-8-6-4-7-9-18/h4,6-9,11-17H,2-3,5,10H2,1H3,(H,32,33)