Compound Identification
SMILES
COC(=O)[C@@H](CO)NC(=O)C1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=LFVIYPSMSYPHMN-SECBINFHSA-N
Formula
C12H12F3NO4
Mass
291.226
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 Serine and derivatives Trifluoromethylbenzenes Benzoyl derivatives Beta hydroxy acids and derivatives Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organonitrogen compounds Primary alcohols Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Serine or derivatives - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzoyl - Beta-hydroxy acid - Hydroxy acid - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Primary alcohol - Alkyl halide - Alkyl fluoride - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen 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