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CHEBI:114911 - 4-[[1,2-dioxo-2-(pyridin-4-ylmethylamino)ethyl]amino]benzoic acid butyl ester

ChEBI IDCHEBI:114911
ChEBI Name4-[[1,2-dioxo-2-(pyridin-4-ylmethylamino)ethyl]amino]benzoic acid butyl ester
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DownloadsMolfile
FormulaC19H21N3O4
Net Charge0
Average Mass355.394
Monoisotopic Mass355.15321
SMILESCCCCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C19H21N3O4/c1-2-3-12-26-19(25)15-4-6-16(7-5-15)22-18(24)17(23)21-13-14-8-10-20-11-9-14/h4-11H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyYEGSQJQQCCCHML-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[[1,2-dioxo-2-(pyridin-4-ylmethylamino)ethyl]amino]benzoic acid butyl ester (CHEBI:114911) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
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