AC1NY5OR

3-[(3E)-2-(2,4-dimethoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]propanoic acid

Also Known As: BAS 02323343|3-[3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid|AQ-149/14367087|3-[(3E)-2-(2,4-dimethoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]propanoic acid|3-(3-benzoyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)propanoic acid

Molecular Formula	C22H21NO7
Molecular Weight	411.1318 g/mol
LogP	2.6002
Topological Polar Surface Area	113.37 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	411.1318
Monoisotopic Mass	411.1318
Heavy Atoms	30
Complexity	1013.40106

Chemical Identifiers

CAS Number	335205-87-3
SMILES	COC1=CC(=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2CCC(=O)O)OC