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CHEBI:121969 - 2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester

Default Structure
ChEBI IDCHEBI:121969
ChEBI Name2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC21H22N2O5
Net Charge0
Average Mass382.416
Monoisotopic Mass382.15287
SMILESCCOc1ncccc1C(=O)OCC(=O)c1cc(C)n(Cc2ccco2)c1C
InChIInChI=1S/C21H22N2O5/c1-4-26-20-17(8-5-9-22-20)21(25)28-13-19(24)18-11-14(2)23(15(18)3)12-16-7-6-10-27-16/h5-11H,4,12-13H2,1-3H3
InChIKeyDUNPAYSIWIBJPH-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)
2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester (CHEBI:121969) is a aromatic carboxylic acid (CHEBI:33859)
2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester (CHEBI:121969) is a pyridines (CHEBI:26421)
Manual XrefsDatabases
LSM-33412LINCS