Compound Identification
SMILES
CCC1=CC=C(C=C1)[C@H](NC(=O)COC(=O)C1=CC(NC(N)=O)=CC=C1)C(C)C
InChIKey
InChIKey=CNTPKRUKUGCZPZ-HXUWFJFHSA-N
Formula
C22H27N3O4
Mass
397.475
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
N-phenylureas Phenylpropanes Benzoyl derivatives Ureas Secondary carboxylic acid amides Carboxylic acid esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - N-phenylurea - Phenylpropane - Benzoyl - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Urea - Carboxylic acid derivative - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - 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