Compound Identification
SMILES
CCCCN(C(=O)COC(=O)C1=C(O)C=CC(C)=C1)C1=C(N)N(CCC)C(=O)NC1=O
InChIKey
InChIKey=DJTUSNYUVLZNNK-UHFFFAOYSA-N
Formula
C21H28N4O6
Mass
432.477
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
-
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 Benzoyl derivatives Para cresols Aminopyrimidines and derivatives 1-hydroxy-2-unsubstituted benzenoids Pyrimidones Toluenes Hydropyrimidines Vinylogous acids Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Lactams Ureas Tertiary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoyl - P-cresol - Aminopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrimidone - Toluene - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Urea - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic 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