Compound Identification
SMILES
CCOC(=O)C(C)OC1=CC=C(C=NNC(=O)C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C(C)C)C=C1
InChIKey
InChIKey=PCJAOFSOIAUJLU-UHFFFAOYSA-N
Formula
C24H27Cl2N3O5
Mass
508.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
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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
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Valine and derivatives 2-phenoxypropionic acid esters N-acyl-alpha amino acids and derivatives Phenoxyacetic acid derivatives 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Phenoxy compounds Benzoyl derivatives Dichlorobenzenes Phenol ethers Alkyl aryl ethers Aryl chlorides Vinylogous halides Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - 2-phenoxypropionic acid ester - Valine or derivatives - Phenoxyacetate - N-substituted-alpha-amino acid - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Alpha-amino acid or derivatives - 1,3-dichlorobenzene - Phenol ether - Phenoxy compound - Benzoyl - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available