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

Systemtic Name: 3-(2,2-dimethylpropanoyloxy)-6-fluoranyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid Openeye Name: 3-(2,2-dimethylpropanoyloxy)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid CAS Name: 3-(2,2-dimethyl-1-oxopropoxy)-6-fluoro-2-(4-phenylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(2,2-dimethylpropanoyloxy)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-fluoro-2-(4-phenylphenyl)-3-pivaloyloxy-cinchoninic acid Formula: C27H22FNO4 MolecularWeight: 443.466283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22FNO4/c1-27(2,3)26(32)33-24-22(25(30)31)20-15-19(28)13-14-21(20)29-23(24)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,30,31)