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

Systemtic Name: 8-[4-[[1-(4-acetamidophenyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[[1-(4-acetamidophenyl)-5-hydroxy-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid CAS Name: 8-[4-[[[1-(4-acetamidophenyl)-5-hydroxy-3-oxo-2H-pyrrol-4-yl]-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[[1-(4-acetamidophenyl)-5-hydroxy-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid Traditional Name: 8-[4-[[1-(4-acetamidophenyl)-2-hydroxy-4-keto-2-pyrroline-3-carbonyl]amino]phenoxy]caprylic acid Formula: C27H31N3O7 MolecularWeight: 509.55094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2CC(=O)C(=C2O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2CC(=O)C(=C2O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

InChI

InChI=1S/C27H31N3O7/c1-18(31)28-19-8-12-21(13-9-19)30-17-23(32)25(27(30)36)26(35)29-20-10-14-22(15-11-20)37-16-6-4-2-3-5-7-24(33)34/h8-15,36H,2-7,16-17H2,1H3,(H,28,31)(H,29,35)(H,33,34)