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

Systemtic Name: 6-[4-[[2-oxidanyl-4-oxidanylidene-6-(2-phenylethynyl)-1H-quinolin-3-yl]carbonylamino]phenoxy]hexanoic acid Openeye Name: 6-[4-[[2-hydroxy-4-oxo-6-(2-phenylethynyl)-1H-quinoline-3-carbonyl]amino]phenoxy]hexanoic acid CAS Name: 6-[4-[[[2-hydroxy-4-oxo-6-(2-phenylethynyl)-1H-quinolin-3-yl]-oxomethyl]amino]phenoxy]hexanoic acid IUPAC Name: 6-[4-[[2-hydroxy-4-oxo-6-(2-phenylethynyl)-1H-quinoline-3-carbonyl]amino]phenoxy]hexanoic acid Traditional Name: 6-[4-[[2-hydroxy-4-keto-6-(2-phenylethynyl)-1H-quinoline-3-carbonyl]amino]phenoxy]hexanoic acid Formula: C30H26N2O6 MolecularWeight: 510.53724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC(=C(C3=O)C(=O)NC4=CC=C(C=C4)OCCCCCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC(=C(C3=O)C(=O)NC4=CC=C(C=C4)OCCCCCC(=O)O)O

InChI

InChI=1S/C30H26N2O6/c33-26(34)9-5-2-6-18-38-23-15-13-22(14-16-23)31-29(36)27-28(35)24-19-21(12-17-25(24)32-30(27)37)11-10-20-7-3-1-4-8-20/h1,3-4,7-8,12-17,19H,2,5-6,9,18H2,(H,31,36)(H,33,34)(H2,32,35,37)