Compound Identification
SMILES
C[C@H]([C@H](C(=O)NC1=C(Cl)C=CC(CCC(O)=O)=C1)C1=CC=C(C=C1)C(C)(C)C)C(F)(F)F
InChIKey
InChIKey=JEMBRRBSPYQAHR-SZNDQCEHSA-N
Formula
C24H27ClF3NO3
Mass
469.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Phenylacetamides Aromatic monoterpenoids Monocyclic monoterpenoids Phenylpropanes Anilides N-arylamides Chlorobenzenes Aryl chlorides Fatty amides Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Monocyclic monoterpenoid - Phenylacetamide - Phenylpropane - Anilide - N-arylamide - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Fatty amide - Benzenoid - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organohalogen compound - Organooxygen compound - Alkyl halide - Organonitrogen compound - Organofluoride - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available