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

Systemtic Name: 8-[4-[(5-oxidanyl-3-oxidanylidene-1-phenyl-2H-pyrrol-4-yl)carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[(5-hydroxy-3-oxo-1-phenyl-2H-pyrrole-4-carbonyl)amino]phenoxy]octanoic acid CAS Name: 8-[4-[[(5-hydroxy-3-oxo-1-phenyl-2H-pyrrol-4-yl)-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[(5-hydroxy-3-oxo-1-phenyl-2H-pyrrole-4-carbonyl)amino]phenoxy]octanoic acid Traditional Name: 8-[4-[(2-hydroxy-4-keto-1-phenyl-2-pyrroline-3-carbonyl)amino]phenoxy]caprylic acid Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=CC=C2)O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=CC=C2)O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

InChI

InChI=1S/C25H28N2O6/c28-21-17-27(19-9-5-4-6-10-19)25(32)23(21)24(31)26-18-12-14-20(15-13-18)33-16-8-3-1-2-7-11-22(29)30/h4-6,9-10,12-15,32H,1-3,7-8,11,16-17H2,(H,26,31)(H,29,30)