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

Systemtic Name: methyl 2-[1-methyl-5-oxidanyl-4-(22-oxidanyldocosanoyl)-3-oxidanylidene-2H-pyrrol-2-yl]ethanoate Openeye Name: methyl 2-[5-hydroxy-4-(22-hydroxydocosanoyl)-1-methyl-3-oxo-2H-pyrrol-2-yl]acetate CAS Name: 2-[5-hydroxy-4-(22-hydroxy-1-oxodocosyl)-1-methyl-3-oxo-2H-pyrrol-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-hydroxy-4-(22-hydroxydocosanoyl)-1-methyl-3-oxo-2H-pyrrol-2-yl]acetate Traditional Name: 2-[5-hydroxy-4-(22-hydroxydocosanoyl)-3-keto-1-methyl-2-pyrrolin-2-yl]acetic acid methyl ester Formula: C30H53NO6 MolecularWeight: 523.74492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H53NO6/c1-31-25(24-27(34)37-2)29(35)28(30(31)36)26(33)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-32/h25,32,36H,3-24H2,1-2H3