Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)NCC(=O)OCC(=O)C1=C(C)NC2=CC=CC=C12
InChIKey
InChIKey=FKVROBWTNNKCDC-UHFFFAOYSA-N
Formula
C22H22N2O6
Mass
410.426
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Dimethoxybenzenes Indoles Anisoles Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Alpha-acyloxy ketones Substituted pyrroles Heteroaromatic compounds Vinylogous amides Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Indole - Indole or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Alpha-acyloxy ketone - Alkyl aryl ether - Substituted pyrrole - Vinylogous amide - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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