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CHEBI:109169 - 5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid

ChEBI IDCHEBI:109169
ChEBI Name5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid
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FormulaC21H25N3O6
Net Charge0
Average Mass415.446
Monoisotopic Mass415.17434
SMILESCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)ccc1OCC(N)=O
InChIInChI=1S/C21H25N3O6/c1-28-19-10-14(2-5-18(19)30-13-20(22)25)12-23-15-3-4-17(16(11-15)21(26)27)24-6-8-29-9-7-24/h2-5,10-11,23H,6-9,12-13H2,1H3,(H2,22,25)(H,26,27)
InChIKeyDHTXANYWBYFQRT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
5-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid (CHEBI:109169) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-20566LINCS