EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:105636 - 4-[3-oxo-1-(3,4,5-trimethoxyanilino)-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:105636
ChEBI Name4-[3-oxo-1-(3,4,5-trimethoxyanilino)-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC25H31N3O6
Net Charge0
Average Mass469.538
Monoisotopic Mass469.22129
SMILESCCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C25H31N3O6/c1-5-34-25(30)27-12-10-17(11-13-27)28-23(18-8-6-7-9-19(18)24(28)29)26-16-14-20(31-2)22(33-4)21(15-16)32-3/h6-9,14-15,17,23,26H,5,10-13H2,1-4H3
InChIKeyJNASXWCREWOTJQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[3-oxo-1-(3,4,5-trimethoxyanilino)-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester (CHEBI:105636) is a isoindoles (CHEBI:24897)
Manual XrefsDatabases
LSM-16999LINCS