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

Systemtic Name: 8-[4-[[1-(3-methoxycarbonylphenyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrol-4-yl]carbonylamino]phenoxy]octanoic acid Openeye Name: 8-[4-[[5-hydroxy-1-(3-methoxycarbonylphenyl)-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid CAS Name: 8-[4-[[[5-hydroxy-1-(3-methoxycarbonylphenyl)-3-oxo-2H-pyrrol-4-yl]-oxomethyl]amino]phenoxy]octanoic acid IUPAC Name: 8-[4-[[5-hydroxy-1-(3-methoxycarbonylphenyl)-3-oxo-2H-pyrrole-4-carbonyl]amino]phenoxy]octanoic acid Traditional Name: 8-[4-[[1-(3-carbomethoxyphenyl)-2-hydroxy-4-keto-2-pyrroline-3-carbonyl]amino]phenoxy]caprylic acid Formula: C27H30N2O8 MolecularWeight: 510.5357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O8/c1-36-27(35)18-8-7-9-20(16-18)29-17-22(30)24(26(29)34)25(33)28-19-11-13-21(14-12-19)37-15-6-4-2-3-5-10-23(31)32/h7-9,11-14,16,34H,2-6,10,15,17H2,1H3,(H,28,33)(H,31,32)