EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:41407 - 2-BENZOYLOXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-3-CARBOXYLIC ACID METHYL ESTER

Default Structure
ChEBI IDCHEBI:41407
ChEBI Name2-BENZOYLOXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-3-CARBOXYLIC ACID METHYL ESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC17H22NO4
Net Charge+1
Average Mass304.366
Monoisotopic Mass304.15433
SMILES[H]c1c([H])c([H])c(C(=O)O[C@]2([H])C([H])([H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]([H])([C@]2([H])C(=O)OC([H])([H])[H])[N@+]3([H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14-,15+/m1/s1
InChIKeyZPUCINDJVBIVPJ-BARDWOONSA-O
ChEBI Ontology
Outgoing Relation(s)
2-BENZOYLOXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-3-CARBOXYLIC ACID METHYL ESTER (CHEBI:41407) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1S,2S,3R,5R,8R)-2-(methoxycarbonyl)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octanePDBeChem
2-BENZOYLOXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-3-CARBOXYLIC ACID METHYL ESTERPDBeChem
Manual XrefsDatabases
CCAPDBeChem