8-[4-[[2-oxidanyl-4-oxidanylidene-7-(trifluoromethyl)-1H-quinolin-3-yl]carbonylamino]phenoxy]octanoic acid

Systemtic Name: 8-[4-[[2-oxidanyl-4-oxidanylidene-7-(trifluoromethyl)-1H-quinolin-3-yl]carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[[2-hydroxy-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]phenoxy]octanoic acid CAS Name: 8-[4-[[[2-hydroxy-4-oxo-7-(trifluoromethyl)-1H-quinolin-3-yl]-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[[2-hydroxy-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]phenoxy]octanoic acid Traditional Name: 8-[4-[[2-hydroxy-4-keto-7-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]phenoxy]caprylic acid Formula: C25H25F3N2O6 MolecularWeight: 506.47101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C(NC3=C(C2=O)C=CC(=C3)C(F)(F)F)O)OCCCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C(NC3=C(C2=O)C=CC(=C3)C(F)(F)F)O)OCCCCCCCC(=O)O

InChI

InChI=1S/C25H25F3N2O6/c26-25(27,28)15-7-12-18-19(14-15)30-24(35)21(22(18)33)23(34)29-16-8-10-17(11-9-16)36-13-5-3-1-2-4-6-20(31)32/h7-12,14H,1-6,13H2,(H,29,34)(H,31,32)(H2,30,33,35)