Compound Identification
SMILES
OC(C#C)(C(=O)OC1CN2CCC1CC2)C1=CC=CC=C1
InChIKey
InChIKey=LBPIXGJWUMHEPZ-UHFFFAOYSA-N
Formula
C17H19NO3
Mass
285.343
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Quinuclidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinuclidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Quinuclidines
Alternative Parents
Fatty acid esters Ynones Piperidines Benzene and substituted derivatives Tertiary alcohols Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Acetylides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinuclidine - Fatty acid ester - Monocyclic benzene moiety - Piperidine - Ynone - Benzenoid - Fatty acyl - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Acetylide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Alcohol - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.
External Descriptors
Not available