Compound Identification
SMILES
CCOC(CC1=CC=C(OCCN(CCCCCC(C)(F)F)C(=O)NC2=CC=CC=C2F)C=C1)C(O)=O
InChIKey
InChIKey=OJIXJCIQVHVAEW-UHFFFAOYSA-N
Formula
C27H35F3N2O5
Mass
524.581
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
N-phenylureas Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes Aryl fluorides Ureas Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Alkyl fluorides Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - N-phenylurea - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Urea - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organofluoride - Organohalogen compound - 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