Compound Identification
SMILES
OC1=C\C(=C/NC2=CC(C(=O)OCC3CCCCC3)=C(O)C=C2)C(=O)C=C1
InChIKey
InChIKey=CDMLQGLJAQZTRV-NTCAYCPXSA-N
Formula
C21H23NO5
Mass
369.417
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzoic acid esters
- Level 6 o-Hydroxybenzoic acid esters
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Level 5
Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
Salicylic acid and derivatives Aminobenzoic acids and derivatives p-Aminophenols O-quinomethanes Benzoyl derivatives Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides Vinylogous acids Carboxylic acid esters Enols Enamines Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Aminobenzoic acid or derivatives - Salicylic acid or derivatives - P-aminophenol - Aminophenol - Benzoyl - O-quinomethane - Aniline or substituted anilines - Quinomethane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous amide - Vinylogous acid - Carboxylic acid ester - Ketone - Cyclic ketone - Allylamine - Enol - Enamine - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
External Descriptors
Not available