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

Systemtic Name: 8-[4-[[5-oxidanyl-3-oxidanylidene-1-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl]carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[[5-hydroxy-1-(4-isopropylphenyl)-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid CAS Name: 8-[4-[[[5-hydroxy-3-oxo-1-(4-propan-2-ylphenyl)-2H-pyrrol-4-yl]-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[[5-hydroxy-3-oxo-1-(4-propan-2-ylphenyl)-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid Traditional Name: 8-[4-[(2-hydroxy-4-keto-1-p-cumenyl-2-pyrroline-3-carbonyl)amino]phenoxy]caprylic acid Formula: C28H34N2O6 MolecularWeight: 494.57936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O6/c1-19(2)20-9-13-22(14-10-20)30-18-24(31)26(28(30)35)27(34)29-21-11-15-23(16-12-21)36-17-7-5-3-4-6-8-25(32)33/h9-16,19,35H,3-8,17-18H2,1-2H3,(H,29,34)(H,32,33)