Compound Identification
SMILES
CCOC(=O)COC1=C(OCC)C=C(C=NNC(=O)CNC(=O)C2=CC(OC)=C(OC)C=C2)C=C1I
InChIKey
InChIKey=HJVIABKAVFDZNZ-UHFFFAOYSA-N
Formula
C24H28IN3O8
Mass
613.405
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 Phenoxyacetic acid derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Iodobenzenes Alkyl aryl ethers N-acyl amines Carboxylic acid esters Vinyl iodides Monocarboxylic acids and derivatives Iodoalkenes Carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Phenoxyacetate - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Iodobenzene - Halobenzene - Alkyl aryl ether - N-acyl-amine - Carboxylic acid ester - Carboxamide group - Iodoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - 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