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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)C(=C(N2)O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C(=O)C(=C(N2)O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

InChI

InChI=1S/C25H28N2O6/c28-20(29)11-7-2-1-3-8-16-33-19-14-12-18(13-15-19)26-24(31)21-23(30)22(27-25(21)32)17-9-5-4-6-10-17/h4-6,9-10,12-15,22,27,32H,1-3,7-8,11,16H2,(H,26,31)(H,28,29)