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

Systemtic Name: 6-[4-[(6-hexyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)carbonylamino]phenoxy]hexanoic acid Openeye Name: 6-[4-[(6-hexyl-2-hydroxy-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]hexanoic acid CAS Name: 6-[4-[[(6-hexyl-2-hydroxy-4-oxo-1H-quinolin-3-yl)-oxomethyl]amino]phenoxy]hexanoic acid IUPAC Name: 6-[4-[(6-hexyl-2-hydroxy-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]hexanoic acid Traditional Name: 6-[4-[(6-hexyl-2-hydroxy-4-keto-1H-quinoline-3-carbonyl)amino]phenoxy]hexanoic acid Formula: C28H34N2O6 MolecularWeight: 494.57936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)NC3=CC=C(C=C3)OCCCCCC(=O)O)O

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)NC3=CC=C(C=C3)OCCCCCC(=O)O)O

InChI

InChI=1S/C28H34N2O6/c1-2-3-4-6-9-19-11-16-23-22(18-19)26(33)25(28(35)30-23)27(34)29-20-12-14-21(15-13-20)36-17-8-5-7-10-24(31)32/h11-16,18H,2-10,17H2,1H3,(H,29,34)(H,31,32)(H2,30,33,35)