Compound Identification
SMILES
CCOC1=C(OCC)C(I)=CC(C=NNC(=O)CNC(=O)C2=CC(OC)=C(OC)C=C2)=C1
InChIKey
InChIKey=CPAXAYKVABAABD-UHFFFAOYSA-N
Formula
C22H26IN3O6
Mass
555.369
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
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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 Dimethoxybenzenes Phenoxy compounds Benzoyl derivatives Anisoles Iodobenzenes Alkyl aryl ethers Aryl iodides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Methoxybenzene - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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