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CHEBI:107958 - 1-[2-[3-(N-ethylanilino)propylamino]-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester

Default Structure
ChEBI IDCHEBI:107958
ChEBI Name1-[2-[3-(N-ethylanilino)propylamino]-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC23H31N3O4
Net Charge0
Average Mass413.518
Monoisotopic Mass413.23146
SMILESCCOC(=O)C1CCN(c2c(NCCCN(CC)c3ccccc3)c(=O)c2=O)CC1
InChIInChI=1S/C23H31N3O4/c1-3-25(18-9-6-5-7-10-18)14-8-13-24-19-20(22(28)21(19)27)26-15-11-17(12-16-26)23(29)30-4-2/h5-7,9-10,17,24H,3-4,8,11-16H2,1-2H3
InChIKeyHNRIKSOYAMYABL-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)
1-[2-[3-(N-ethylanilino)propylamino]-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester (CHEBI:107958) is a carboxylic acid (CHEBI:33575)
1-[2-[3-(N-ethylanilino)propylamino]-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester (CHEBI:107958) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-19335LINCS