Compound Identification
SMILES
COC(=O)C1=CC=C(C[N+](C)(C)C[C@@H]2[C@@H](C)CC(C)=C[C@H]2C)C=C1
InChIKey
InChIKey=WBDRYJJPLIJBNL-UWVAXJGDSA-N
Formula
C21H32NO2
Mass
330.491
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Tetraalkylammonium salts Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Methyl ester - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available