Compound Identification
SMILES
CC[C@@H](CO)NCCN[C@@H](CC)COC(=O)C1=C(O)C=C(N)C=C1
InChIKey
InChIKey=QAEOITLNHNZSIR-KBPBESRZSA-N
Formula
C17H29N3O4
Mass
339.436
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
Aminosalicylic acids and derivatives Aminobenzoic acids and derivatives m-Aminophenols Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Dialkylamines Organic oxides Primary amines Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Aminosalicylic acid or derivatives - Salicylic acid or derivatives - Aminobenzoic acid or derivatives - Benzoyl - Aminophenol - Aniline or substituted anilines - M-aminophenol - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - 1,2-aminoalcohol - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alcohol - 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