Compound Identification
SMILES
OC1CN=CNC2=C1N=CN2CCCCC(CC1=CC=C(C=C1)C(F)(F)F)(C(O)=O)C(O)=O
InChIKey
InChIKey=JMXRYZISHCQKQY-UHFFFAOYSA-N
Formula
C21H23F3N4O5
Mass
468.433
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
Trifluoromethylbenzenes Imidazodiazepines Medium-chain fatty acids 1,3-diazepines Branched fatty acids Halogenated fatty acids Hydroxy fatty acids Heterocyclic fatty acids Dicarboxylic acids and derivatives N-substituted imidazoles Heteroaromatic compounds Secondary alcohols Formamidines Carboxylic acids Carboxamidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organofluorides Carbonyl compounds Amines Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Imidazodiazepine - Trifluoromethylbenzene - Imidazo-meta-diazepine - Medium-chain fatty acid - Meta-diazepine - Branched fatty acid - Hydroxy fatty acid - Heterocyclic fatty acid - Halogenated fatty acid - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Fatty acid - Fatty acyl - Dicarboxylic acid or derivatives - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Amidine - Formamidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Hydrocarbon derivative - Amine - Alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic 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