8-[4-[(2-oxidanyl-4-oxidanylidene-6-pentyl-1H-quinolin-3-yl)carbonylamino]phenoxy]octanoic acid

Systemtic Name: 8-[4-[(2-oxidanyl-4-oxidanylidene-6-pentyl-1H-quinolin-3-yl)carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[(2-hydroxy-4-oxo-6-pentyl-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid CAS Name: 8-[4-[[(2-hydroxy-4-oxo-6-pentyl-1H-quinolin-3-yl)-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[(2-hydroxy-4-oxo-6-pentyl-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid Traditional Name: 8-[4-[(6-amyl-2-hydroxy-4-keto-1H-quinoline-3-carbonyl)amino]phenoxy]caprylic acid Formula: C29H36N2O6 MolecularWeight: 508.60594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O)O

Isomeric SMILES

CCCCCC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O)O

InChI

InChI=1S/C29H36N2O6/c1-2-3-7-10-20-12-17-24-23(19-20)27(34)26(29(36)31-24)28(35)30-21-13-15-22(16-14-21)37-18-9-6-4-5-8-11-25(32)33/h12-17,19H,2-11,18H2,1H3,(H,30,35)(H,32,33)(H2,31,34,36)