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

Systemtic Name: 8-[4-[(7-cyano-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[(7-cyano-2-hydroxy-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid CAS Name: 8-[4-[[(7-cyano-2-hydroxy-4-oxo-1H-quinolin-3-yl)-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[(7-cyano-2-hydroxy-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid Traditional Name: 8-[4-[(7-cyano-2-hydroxy-4-keto-1H-quinoline-3-carbonyl)amino]phenoxy]caprylic acid Formula: C25H25N3O6 MolecularWeight: 463.4825

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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#N)O)OCCCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O6/c26-15-16-7-12-19-20(14-16)28-25(33)22(23(19)31)24(32)27-17-8-10-18(11-9-17)34-13-5-3-1-2-4-6-21(29)30/h7-12,14H,1-6,13H2,(H,27,32)(H,29,30)(H2,28,31,33)