6-[4-[(7-cyano-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)carbonylamino]phenoxy]hexanoic acid

Systemtic Name: 6-[4-[(7-cyano-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)carbonylamino]phenoxy]hexanoic acid Openeye Name: 6-[4-[(7-cyano-2-hydroxy-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]hexanoic acid CAS Name: 6-[4-[[(7-cyano-2-hydroxy-4-oxo-1H-quinolin-3-yl)-oxomethyl]amino]phenoxy]hexanoic acid IUPAC Name: 6-[4-[(7-cyano-2-hydroxy-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]hexanoic acid Traditional Name: 6-[4-[(7-cyano-2-hydroxy-4-keto-1H-quinoline-3-carbonyl)amino]phenoxy]hexanoic acid Formula: C23H21N3O6 MolecularWeight: 435.42934

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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)OCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O6/c24-13-14-5-10-17-18(12-14)26-23(31)20(21(17)29)22(30)25-15-6-8-16(9-7-15)32-11-3-1-2-4-19(27)28/h5-10,12H,1-4,11H2,(H,25,30)(H,27,28)(H2,26,29,31)