Compound Identification
SMILES
CCOC1=CC=C(C=C1)C(=O)OC1=C(C=NNC(=O)CNC(=O)C2=CC(Cl)=CC=C2)C2=CC=CC=C2C=C1
InChIKey
InChIKey=OXWIPVODQMQOJY-UHFFFAOYSA-N
Formula
C29H24ClN3O5
Mass
529.98
Taxonomic Classification
Taxonomy Tree
-
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
N-acyl-alpha amino acids and derivatives 3-halobenzoic acids and derivatives Benzoic acid esters Phenol esters Naphthalenes Phenoxy compounds Benzoyl derivatives Phenol ethers Chlorobenzenes Alkyl aryl ethers Aryl chlorides Carboxylic acid esters Secondary carboxylic acid amides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Naphthalene - Phenol ester - Benzoate ester - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homopolycyclic 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