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CHEBI:108158 - 4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:108158
ChEBI Name4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC20H25N3O4
Net Charge0
Average Mass371.437
Monoisotopic Mass371.18451
SMILESCCOC(=O)N1CCC(Nc2c(Nc3cccc(CC)c3)c(=O)c2=O)CC1
InChIInChI=1S/C20H25N3O4/c1-3-13-6-5-7-15(12-13)22-17-16(18(24)19(17)25)21-14-8-10-23(11-9-14)20(26)27-4-2/h5-7,12,14,21-22H,3-4,8-11H2,1-2H3
InChIKeyGCSSZOOHFWEMGE-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-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester (CHEBI:108158) is a carboxylic acid (CHEBI:33575)
4-[[2-(3-ethylanilino)-3,4-dioxo-1-cyclobutenyl]amino]-1-piperidinecarboxylic acid ethyl ester (CHEBI:108158) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
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