CHEBI:114923 - 4-(2-oxo-1-pyrrolidinyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(2-oxo-1-pyrrolidinyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
ChEBI ID CHEBI:114923
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H18N2O5
Net Charge 0
Average Mass 342.347
Monoisotopic Mass 342.12157
InChI InChI=1S/C18H18N2O5/c21-16(19-11-15-3-2-10-24-15)12-25-18(23)13-5-7-14(8-6-13)20-9-1-4-17(20)22/h2-3,5-8,10H,1,4,9,11-12H2,(H,19,21)
InChIKey IGEILYGSUOCDIY-UHFFFAOYSA-N
SMILES C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3
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-(2-oxo-1-pyrrolidinyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester (CHEBI:114923) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-26386 LINCS
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