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

Systemtic Name: 8-[4-[[1-(4-chlorophenyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[[1-(4-chlorophenyl)-5-hydroxy-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid CAS Name: 8-[4-[[[1-(4-chlorophenyl)-5-hydroxy-3-oxo-2H-pyrrol-4-yl]-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[[1-(4-chlorophenyl)-5-hydroxy-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid Traditional Name: 8-[4-[[1-(4-chlorophenyl)-2-hydroxy-4-keto-2-pyrroline-3-carbonyl]amino]phenoxy]caprylic acid Formula: C25H27ClN2O6 MolecularWeight: 486.94468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O6/c26-17-7-11-19(12-8-17)28-16-21(29)23(25(28)33)24(32)27-18-9-13-20(14-10-18)34-15-5-3-1-2-4-6-22(30)31/h7-14,33H,1-6,15-16H2,(H,27,32)(H,30,31)