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CHEBI:113175 - 4-(3-methylanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester

ChEBI IDCHEBI:113175
ChEBI Name4-(3-methylanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester
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FormulaC18H18BrNO3
Net Charge0
Average Mass376.250
Monoisotopic Mass375.04701
SMILESCc1cccc(NC(=O)CCC(=O)OCc2ccc(Br)cc2)c1
InChIInChI=1S/C18H18BrNO3/c1-13-3-2-4-16(11-13)20-17(21)9-10-18(22)23-12-14-5-7-15(19)8-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,21)
InChIKeyKAGHTNIGBARZLK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(3-methylanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester (CHEBI:113175) has functional parent benzyl alcohol (CHEBI:17987)
4-(3-methylanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester (CHEBI:113175) is a carboxylic ester (CHEBI:33308)
Manual XrefsDatabases
LSM-24586LINCS