EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:91921 - 3,5-dimethylbenzoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester

ChEBI IDCHEBI:91921
ChEBI Name3,5-dimethylbenzoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
Stars
DownloadsMolfile
FormulaC17H23NO2
Net Charge0
Average Mass273.376
Monoisotopic Mass273.17288
SMILESCc1cc(C)cc(C(=O)OC2CC3CCC(C2)N3C)c1
InChIInChI=1S/C17H23NO2/c1-11-6-12(2)8-13(7-11)17(19)20-16-9-14-4-5-15(10-16)18(14)3/h6-8,14-16H,4-5,9-10H2,1-3H3
InChIKeyHDDNYFLPWFSBLN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5-dimethylbenzoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester (CHEBI:91921) is a benzoate ester (CHEBI:36054)
Manual XrefsDatabases
LSM-1860LINCS