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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1H-indole-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
ChEBI ID CHEBI:94647
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H20N2O2
Net Charge 0
Average Mass 284.354
Monoisotopic Mass 284.15248
InChI InChI=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?
InChIKey ZNRGQMMCGHDTEI-FUNVUKJBSA-N
SMILES CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-5617 LINCS
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