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

Systemtic Name: 8-[4-[(6-azanyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[(6-amino-2-hydroxy-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid CAS Name: 8-[4-[[(6-amino-2-hydroxy-4-oxo-1H-quinolin-3-yl)-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[(6-amino-2-hydroxy-4-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]octanoic acid Traditional Name: 8-[4-[(6-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=CC(=CC=C1NC(=O)C2=C(NC3=C(C2=O)C=C(C=C3)N)O)OCCCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O6/c25-15-7-12-19-18(14-15)22(30)21(24(32)27-19)23(31)26-16-8-10-17(11-9-16)33-13-5-3-1-2-4-6-20(28)29/h7-12,14H,1-6,13,25H2,(H,26,31)(H,28,29)(H2,27,30,32)