Compound Identification
SMILES
CCOC(=O)C(NC(=O)C1=CC=C(OC)C=C1)(NC1=CC=C(C=C1)C(C)=O)C(F)(F)F
InChIKey
InChIKey=PFDJULLDFODCAA-UHFFFAOYSA-N
Formula
C21H21F3N2O5
Mass
438.403
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 Alkyl-phenylketones Acetophenones Phenylalkylamines Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alkyl-phenylketone - Alpha-amino acid or derivatives - Acetophenone - Phenylketone - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Aryl alkyl ketone - Phenylalkylamine - Methoxybenzene - Anisole - Alkyl aryl ether - Ketone - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Ether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organic oxygen 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