Compound Identification
SMILES
CC=CC(O)(C(=O)OC1CN2CCC1CC2)C1=CC=CC=C1
InChIKey
InChIKey=KXULHOPQKUGNIO-UHFFFAOYSA-N
Formula
C18H23NO3
Mass
301.386
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 Piperidines Benzene and substituted derivatives Tertiary alcohols Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinuclidine - Fatty acid ester - Monocyclic benzene moiety - Piperidine - Benzenoid - Fatty acyl - Tertiary alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Alcohol - Aromatic alcohol - Hydrocarbon derivative - 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