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CHEBI:190556 - 3-(1-cyano-1,2-dihydroisoquinolin-2-yl)-3-oxopropyl propionate

ChEBI IDCHEBI:190556
ChEBI Name3-(1-cyano-1,2-dihydroisoquinolin-2-yl)-3-oxopropyl propionate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16N2O3
Net Charge0
Average Mass284.315
Monoisotopic Mass284.11609
SMILESCCC(=O)OCCC(=O)N1C=Cc2ccccc2C1C#N
InChIInChI=1S/C16H16N2O3/c1-2-16(20)21-10-8-15(19)18-9-7-12-5-3-4-6-13(12)14(18)11-17/h3-7,9,14H,2,8,10H2,1H3
InChIKeyAAISODGMPCCJTM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
3-(1-cyano-1,2-dihydroisoquinolin-2-yl)-3-oxopropyl propionate (CHEBI:190556) is a benzenoid aromatic compound (CHEBI:33836)
IUPAC Name 
[3-(1-cyano-1H-isoquinolin-2-yl)-3-oxopropyl] propanoate
Manual XrefsDatabases
2104664ChemSpider