3-[3-Acetyl-4-Hydroxy-2-(4-Isopropyl-Phenyl)-5-Oxo-2,5-Dihydro-Pyrrol-1-Yl]-Propionic Acid
[CAS# 436088-35-6]

Identification

• Name: 3-[3-Acetyl-4-Hydroxy-2-(4-Isopropyl-Phenyl)-5-Oxo-2,5-Dihydro-Pyrrol-1-Yl]-Propionic Acid
• Synonyms: 3-[(2S)-3-Acetyl-4-Hydroxy-2-(4-Isopropylphenyl)-5-Oxo-2H-Pyrrol-1-Yl]Propanoate; 3-[(2S)-3-Acetyl-4-Hydroxy-2-(4-Isopropylphenyl)-5-Keto-3-Pyrrolin-1-Yl]Propionate; 3-[(5S)-4-Ethanoyl-3-Hydroxy-2-Oxo-5-(4-Propan-2-Ylphenyl)-5H-Pyrrol-1-Yl]Propanoate
• Molecular Formula: C₁₈H₂₀NO₅
• Molecular Weight: 330.36
• CAS Registry Number: 436088-35-6
• SMILES: [C@H]1(N(C(=O)C(=C1C(=O)C)O)CCC([O-])=O)C2=CC=C(C=C2)C(C)C
• InChI: 1S/C18H21NO5/c1-10(2)12-4-6-13(7-5-12)16-15(11(3)20)17(23)18(24)19(16)9-8-14(21)22/h4-7,10,16,23H,8-9H2,1-3H3,(H,21,22)/p-1/t16-/m0/s1
• InChIKey: YNYIRYJQVBFYET-INIZCTEOSA-M

Properties

• Boiling point: 596.935°C at 760 mmHg (Cal.)
• Flash point: 314.815°C (Cal.)