2-[1-methyl-5-oxidanyl-4-(22-oxidanyldocosanoyl)-3-oxidanylidene-2H-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[1-methyl-5-oxidanyl-4-(22-oxidanyldocosanoyl)-3-oxidanylidene-2H-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-hydroxy-4-(22-hydroxydocosanoyl)-1-methyl-3-oxo-2H-pyrrol-2-yl]acetic acid CAS Name: 2-[5-hydroxy-4-(22-hydroxy-1-oxodocosyl)-1-methyl-3-oxo-2H-pyrrol-2-yl]acetic acid IUPAC Name: 2-[5-hydroxy-4-(22-hydroxydocosanoyl)-1-methyl-3-oxo-2H-pyrrol-2-yl]acetic acid Traditional Name: 2-[5-hydroxy-4-(22-hydroxydocosanoyl)-3-keto-1-methyl-2-pyrrolin-2-yl]acetic acid Formula: C29H51NO6 MolecularWeight: 509.71834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)C(=C1O)C(=O)CCCCCCCCCCCCCCCCCCCCCO)CC(=O)O

Isomeric SMILES

CN1C(C(=O)C(=C1O)C(=O)CCCCCCCCCCCCCCCCCCCCCO)CC(=O)O

InChI

InChI=1S/C29H51NO6/c1-30-24(23-26(33)34)28(35)27(29(30)36)25(32)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-31/h24,31,36H,2-23H2,1H3,(H,33,34)