CHEBI:104202 - 4-[[1-oxo-2-(pyridin-4-ylmethylamino)ethyl]amino]benzoic acid methyl ester

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ChEBI Name 4-[[1-oxo-2-(pyridin-4-ylmethylamino)ethyl]amino]benzoic acid methyl ester
ChEBI ID CHEBI:104202
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H17N3O3
Net Charge 0
Average Mass 299.325
Monoisotopic Mass 299.12699
InChI InChI=1S/C16H17N3O3/c1-22-16(21)13-2-4-14(5-3-13)19-15(20)11-18-10-12-6-8-17-9-7-12/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKey ILEOUAHJEOKIKW-UHFFFAOYSA-N
SMILES COC(=O)C1=CC=C(C=C1)NC(=O)CNCC2=CC=NC=C2
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 4-[[1-oxo-2-(pyridin-4-ylmethylamino)ethyl]amino]benzoic acid methyl ester (CHEBI:104202) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-15566 LINCS
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