Compound Identification
SMILES
CC1=CC=C(CN(CC2=CC3=C(OCO3)C=C2)C(=O)CN(CC=C)C(=O)C2=CC(=CC=C2)C(F)(F)F)O1
InChIKey
InChIKey=LTLAJYQWTIRCPV-UHFFFAOYSA-N
Formula
C27H25F3N2O5
Mass
514.501
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
Trifluoromethylbenzenes Alpha amino acids and derivatives Benzodioxoles Benzoyl derivatives Tertiary carboxylic acid amides Furans Heteroaromatic compounds Oxacyclic compounds Acetals Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzodioxole - Benzoyl - Furan - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - 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