Compound Identification
SMILES
CCOC(=O)CC(=O)C1CN([C@H](C)C2=CC=CC=C2)C(=O)C1
InChIKey
InChIKey=CAJZRTYAYFFONV-PUODRLBUSA-N
Formula
C17H21NO4
Mass
303.358
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
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Class
Keto acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Beta-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta-keto acids and derivatives
Alternative Parents
Fatty acid esters Pyrrolidine-2-ones N-alkylpyrrolidines Benzene and substituted derivatives 1,3-dicarbonyl compounds Tertiary carboxylic acid amides Lactams Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Fatty acyl - 1,3-dicarbonyl compound - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Lactam - Ketone - Carboxylic acid ester - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
External Descriptors
Not available