Compound Identification
SMILES
CC1=CC(NC2=CC(C(=O)NC3(CCC4=CC(F)=CC=C4)CCOCC3)=C(CCC(O)=O)C=C2)=CC(C)=C1
InChIKey
InChIKey=WIFNRHGNFXBUEF-UHFFFAOYSA-N
Formula
C31H35FN2O4
Mass
518.629
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
Aminobenzamides Benzamides m-Xylenes Aniline and substituted anilines Benzoyl derivatives Fluorobenzenes Aryl fluorides Primary aromatic amines Oxanes Secondary carboxylic acid amides Amino acids Oxacyclic compounds Dialkyl ethers Carboxylic acids Secondary amines Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Aminobenzamide - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - M-xylene - Xylene - Benzoyl - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Oxane - Benzenoid - Monocyclic benzene moiety - Primary aromatic amine - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organofluoride - Organic oxide - Hydrocarbon derivative - Amine - Organohalogen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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