Compound Identification
SMILES
CNCC1=CC=C(CC(=O)NC2CC(NC3=CC(Cl)=CC(Cl)=C23)C(=O)OC)C=C1
InChIKey
InChIKey=JITHISWNQGRDTO-UHFFFAOYSA-N
Formula
C21H23Cl2N3O3
Mass
436.33
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Phenylacetamides Hydroquinolines Phenylmethylamines Benzylamines Aralkylamines Secondary alkylarylamines Aryl chlorides Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Tetrahydroquinoline - Phenylacetamide - Benzylamine - Phenylmethylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available