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

Systemtic Name: methyl 8-[4-[[1-(4-chlorophenyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]carbonylamino]phenoxy]octanoate Openeye Name: methyl 8-[4-[[1-(4-chlorophenyl)-5-hydroxy-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoate CAS Name: 8-[4-[[[1-(4-chlorophenyl)-5-hydroxy-3-oxo-2H-pyrrol-4-yl]-oxomethyl]amino]phenoxy]octanoic acid methyl ester IUPAC Name: methyl 8-[4-[[1-(4-chlorophenyl)-5-hydroxy-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoate Traditional Name: 8-[4-[[1-(4-chlorophenyl)-2-hydroxy-4-keto-2-pyrroline-3-carbonyl]amino]phenoxy]caprylic acid methyl ester Formula: C26H29ClN2O6 MolecularWeight: 500.97126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCOC1=CC=C(C=C1)NC(=O)C2=C(N(CC2=O)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

COC(=O)CCCCCCCOC1=CC=C(C=C1)NC(=O)C2=C(N(CC2=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C26H29ClN2O6/c1-34-23(31)7-5-3-2-4-6-16-35-21-14-10-19(11-15-21)28-25(32)24-22(30)17-29(26(24)33)20-12-8-18(27)9-13-20/h8-15,33H,2-7,16-17H2,1H3,(H,28,32)