Compound Identification
SMILES
C[N+](C)(CCOC(=O)C(O)(C1CCCC1)C1=CC=CC=C1)COC(=O)C1=CC=CC=C1
InChIKey
InChIKey=RWTVXXCUUCFFKF-UHFFFAOYSA-N
Formula
C25H32NO5
Mass
426.532
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
Acyl cholines Benzoyl derivatives Tetraalkylammonium salts Tertiary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Acyl choline - Benzoyl - Choline - Tetraalkylammonium salt - Tertiary alcohol - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Carbonyl group - 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