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CHEBI:109432 - 4-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester

Default Structure
ChEBI IDCHEBI:109432
ChEBI Name4-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC19H18N2O4
Net Charge0
Average Mass338.363
Monoisotopic Mass338.12666
SMILESCc1cc(C(=O)COC(=O)c2ccncc2)c(C)n1Cc1ccco1
InChIInChI=1S/C19H18N2O4/c1-13-10-17(14(2)21(13)11-16-4-3-9-24-16)18(22)12-25-19(23)15-5-7-20-8-6-15/h3-10H,11-12H2,1-2H3
InChIKeyPPVQVVYILHCBSQ-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-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester (CHEBI:109432) is a aromatic carboxylic acid (CHEBI:33859)
4-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester (CHEBI:109432) is a pyridines (CHEBI:26421)
Manual XrefsDatabases
LSM-20830LINCS