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

Systemtic Name: 8-[4-[[1-(4-cyclohexylphenyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[[1-(4-cyclohexylphenyl)-5-hydroxy-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid CAS Name: 8-[4-[[[1-(4-cyclohexylphenyl)-5-hydroxy-3-oxo-2H-pyrrol-4-yl]-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[[1-(4-cyclohexylphenyl)-5-hydroxy-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid Traditional Name: 8-[4-[[1-(4-cyclohexylphenyl)-2-hydroxy-4-keto-2-pyrroline-3-carbonyl]amino]phenoxy]caprylic acid Formula: C31H38N2O6 MolecularWeight: 534.64322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N3CC(=O)C(=C3O)C(=O)NC4=CC=C(C=C4)OCCCCCCCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N3CC(=O)C(=C3O)C(=O)NC4=CC=C(C=C4)OCCCCCCCC(=O)O

InChI

InChI=1S/C31H38N2O6/c34-27-21-33(25-16-12-23(13-17-25)22-9-5-4-6-10-22)31(38)29(27)30(37)32-24-14-18-26(19-15-24)39-20-8-3-1-2-7-11-28(35)36/h12-19,22,38H,1-11,20-21H2,(H,32,37)(H,35,36)