Compound Identification
SMILES
OC(=O)C(COCC1=CC=C(C=C1)C1=CC=CC=C1)NC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=APHPSRBBKZLUTA-UHFFFAOYSA-N
Formula
C30H24F3NO4
Mass
519.52
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 Biphenyls and derivatives Trifluoromethylbenzenes Benzylethers Benzoyl derivatives Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Biphenyl - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzylether - Benzoyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Carbonyl group - Alkyl fluoride - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Alkyl halide - 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