4-[2-(2,4-dichlorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
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![4-[2-(2,4-dichlorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d4d6287b6640449f965ac24c91511667.png "4-[2-(2,4-dichlorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid")
4-[2-(2,4-dichlorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
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CAS No:
440091-86-1
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Formula:
C22H19Cl2NO5
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Chemical Name:
4-[2-(2,4-dichlorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
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Synonyms:
4-[2-(2,4-dichlorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid;Oprea1_656741;AQ-149/13889980;STK999547;STL150141;AKOS001638072;AKOS005750150;4-{(3E)-2-(2,4-dichlorophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoic acid;4-{2-(2,4-dichlorophenyl)-4-hydroxy-3-[(4-methylphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}butanoic acid
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CAS No:
4-[2-(2,4-dichlorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid Basic Attributes
448.29596
447.064
Computed Properties
Molecular Weight:448.3
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:447.0640281
Monoisotopic Mass:447.0640281
Topological Polar Surface Area:94.9
Heavy Atom Count:30
Complexity:716
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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