Compound Identification
SMILES
CC1=C(C(=O)NC(CC2=CC3=C(C=C2)N(CCC3)C(=O)C2=C(Cl)C=CC=C2Cl)C(O)=O)C(Cl)=CC=C1
InChIKey
InChIKey=YLWFXTONLGZIIF-UHFFFAOYSA-N
Formula
C27H23Cl3N2O4
Mass
545.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
-
Level 6
Hippuric acids and derivatives
- Level 7 Hippuric acids
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Level 6
Hippuric acids and derivatives
-
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 - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids 2-halobenzoic acids and derivatives Hydroquinolines o-Toluamides Benzoyl derivatives Dichlorobenzenes Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid - Alpha-amino acid or derivatives - Tetrahydroquinoline - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - O-toluamide - Toluamide - Benzoyl - 1,3-dichlorobenzene - Toluene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available