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

Systemtic Name: 8-[4-[[2-methyl-1-(4-methylphenyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[[5-hydroxy-2-methyl-3-oxo-1-(p-tolyl)-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid CAS Name: 8-[4-[[[5-hydroxy-2-methyl-1-(4-methylphenyl)-3-oxo-2H-pyrrol-4-yl]-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[[5-hydroxy-2-methyl-1-(4-methylphenyl)-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid Traditional Name: 8-[4-[[2-hydroxy-4-keto-5-methyl-1-(p-tolyl)-2-pyrroline-3-carbonyl]amino]phenoxy]caprylic acid Formula: C27H32N2O6 MolecularWeight: 480.55278

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=C(N1C2=CC=C(C=C2)C)O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

Isomeric SMILES

CC1C(=O)C(=C(N1C2=CC=C(C=C2)C)O)C(=O)NC3=CC=C(C=C3)OCCCCCCCC(=O)O

InChI

InChI=1S/C27H32N2O6/c1-18-9-13-21(14-10-18)29-19(2)25(32)24(27(29)34)26(33)28-20-11-15-22(16-12-20)35-17-7-5-3-4-6-8-23(30)31/h9-16,19,34H,3-8,17H2,1-2H3,(H,28,33)(H,30,31)