Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)N\C(=C\C1=CC=C(O1)C1=CC=CC=C1OC(F)(F)F)C(=O)NCCCN1C=CN=C1
InChIKey
InChIKey=IWRBBAWRMGGHON-HAVVHWLPSA-N
Formula
C28H25F3N4O4
Mass
538.527
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
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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 Alpha amino acid amides p-Toluamides Benzoyl derivatives Phenoxy compounds Phenol ethers N-substituted imidazoles Furans Heteroaromatic compounds Trihalomethanes Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Toluamide - P-toluamide - Phenoxy compound - Phenol ether - Benzoyl - Toluene - N-substituted imidazole - Heteroaromatic compound - Furan - Azole - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Trihalomethane - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Halomethane - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic 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