Compound Identification
SMILES
CC(COC1=CC(CN)=C2COB(O)C2=C1)(NC(=O)C1=CC=C(OC(F)(F)F)C=C1)C(N)=O
InChIKey
InChIKey=OJVLCEPQERZFJX-UHFFFAOYSA-N
Formula
C20H21BF3N3O6
Mass
467.21
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 Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Aralkylamines Oxaborole derivatives Boronic acid esters Trihalomethanes Secondary carboxylic acid amides Primary carboxylic acid amides Oxacyclic compounds Organic metalloid salts Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organofluorides Alkyl fluorides Organometalloid compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Aralkylamine - Boronic acid ester - 1,2-oxaborole derivative - Secondary carboxylic acid amide - Primary carboxylic acid amide - Amino acid or derivatives - Boronic acid derivative - Carboxamide group - Trihalomethane - Organoheterocyclic compound - Organic metalloid salt - Oxacycle - Carboxylic acid derivative - Ether - Primary amine - Halomethane - Primary aliphatic amine - Organohalogen compound - Organic metalloid moeity - Organofluoride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxide - Alkyl fluoride - Amine - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - 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