Compound Identification
SMILES
COC(=O)C1=C(OCC2=CC=CC=C2)C=CC(=C1)[C@@H](O)C[N+](C)(C)C
InChIKey
InChIKey=QTYUBZJAPIATFS-SFHVURJKSA-N
Formula
C20H26NO4
Mass
344.43
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
Phenoxy compounds Phenol ethers Benzoyl derivatives Cholines Aralkylamines Alkyl aryl ethers Tetraalkylammonium salts Methyl esters Secondary alcohols 1,2-aminoalcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Phenol ether - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Choline - Tetraalkylammonium salt - Methyl ester - Quaternary ammonium salt - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Aromatic alcohol - Organic nitrogen compound - Amine - Organic oxide - 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