3-(4-dodecanoyl-1-methyl-5-oxidanyl-3-oxidanylidene-2H-pyrrol-2-yl)propanoic acid

Systemtic Name: 3-(4-dodecanoyl-1-methyl-5-oxidanyl-3-oxidanylidene-2H-pyrrol-2-yl)propanoic acid Openeye Name: 3-(4-dodecanoyl-5-hydroxy-1-methyl-3-oxo-2H-pyrrol-2-yl)propanoic acid CAS Name: 3-[5-hydroxy-1-methyl-3-oxo-4-(1-oxododecyl)-2H-pyrrol-2-yl]propanoic acid IUPAC Name: 3-(4-dodecanoyl-5-hydroxy-1-methyl-3-oxo-2H-pyrrol-2-yl)propanoic acid Traditional Name: 3-(5-hydroxy-3-keto-4-lauroyl-1-methyl-2-pyrrolin-2-yl)propionic acid Formula: C20H33NO5 MolecularWeight: 367.47972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C(C1=O)CCC(=O)O)C)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C(C1=O)CCC(=O)O)C)O

InChI

InChI=1S/C20H33NO5/c1-3-4-5-6-7-8-9-10-11-12-16(22)18-19(25)15(13-14-17(23)24)21(2)20(18)26/h15,26H,3-14H2,1-2H3,(H,23,24)