Compound Identification
SMILES
CCOC1=C(OCC)C=C(\C=C(\NC(=O)C2=CC=CC=C2)C([O-])=O)C=C1
InChIKey
InChIKey=HHTPDMGAZBJMKB-FOWTUZBSSA-M
Formula
C20H20NO5
Mass
354.383
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 Cinnamic acids Coumaric acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Secondary carboxylic acid amides Carboxylic acid salts Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Cinnamic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Alpha-amino acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic anion - Aromatic homomonocyclic 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