8-[4-[(5-azanyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)carbonylamino]phenoxy]octanoic acid

Systemtic Name: 8-[4-[(5-azanyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[(5-amino-2-hydroxy-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid CAS Name: 8-[4-[[(5-amino-2-hydroxy-4-oxo-1H-quinolin-3-yl)-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[(5-amino-2-hydroxy-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid Traditional Name: 8-[4-[(5-amino-2-hydroxy-4-keto-1H-quinoline-3-carbonyl)amino]phenoxy]caprylic acid Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N)C(=O)C(=C(N2)O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)N)C(=O)C(=C(N2)O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

InChI

InChI=1S/C24H27N3O6/c25-17-7-6-8-18-20(17)22(30)21(24(32)27-18)23(31)26-15-10-12-16(13-11-15)33-14-5-3-1-2-4-9-19(28)29/h6-8,10-13H,1-5,9,14,25H2,(H,26,31)(H,28,29)(H2,27,30,32)