Compound Identification
SMILES
CCOC1=C(OCC2=CC3=C(OCO3)C=C2)C=CC(C=NNC(=O)C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C(C)C)=C1
InChIKey
InChIKey=ISSNJOFUOSZDLK-UHFFFAOYSA-N
Formula
C29H29Cl2N3O6
Mass
586.47
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
-
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 N-acyl-alpha amino acids and derivatives 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzodioxoles Phenoxy compounds Dichlorobenzenes Benzoyl derivatives Phenol ethers Alkyl aryl ethers Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Oxacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Valine or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Benzodioxole - 1,3-dichlorobenzene - Phenol ether - Benzoyl - Phenoxy compound - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Acetal - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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