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CHEBI:94647 - 1H-indole-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester

ChEBI IDCHEBI:94647
ChEBI Name1H-indole-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
Stars
DownloadsMolfile
FormulaC17H20N2O2
Net Charge0
Average Mass284.359
Monoisotopic Mass284.15248
SMILESCN1[C@@H]2CC[C@H]1CC(OC(=O)c1cnc3ccccc13)C2
InChIInChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13?
InChIKeyZNRGQMMCGHDTEI-FUNVUKJBSA-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)
1H-indole-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester (CHEBI:94647) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-5617LINCS