Compound Identification
SMILES
CC(C)[C@H](OC(=O)C1=CC=CC=C1)[C@]1(NC(=O)[C@@H](C)[C@@H]1O)C=O
InChIKey
InChIKey=JOQLBONKMXCERD-MJFSBKNWSA-N
Formula
C17H21NO5
Mass
319.357
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- 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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzoyl derivatives Pyrrolidine-2-ones Secondary carboxylic acid amides Secondary alcohols Lactams Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - 2-pyrrolidone - Pyrrolidone - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Aromatic heteromonocyclic 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