Compound Identification
SMILES
CC1=CC=C(C)N1[C@@H](CC1=CC=C(OCC2=CC=CC=C2F)C=C1)C(O)=O
InChIKey
InChIKey=SIAWVFNXECNOFD-NRFANRHFSA-N
Formula
C22H22FNO3
Mass
367.42
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
Alpha amino acids and derivatives Amphetamines and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes Substituted pyrroles Aryl fluorides Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organofluorides Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Aryl halide - Heteroaromatic compound - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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