Compound Identification
SMILES
OC(=O)C(F)(F)F.OC(=O)CC(CC1=NC(CCCC2=NC3=C(CCCN3)C=C2)=NO1)C1=CC(Br)=CC=C1
InChIKey
InChIKey=VLXYVWRJDWOKFB-UHFFFAOYSA-N
Formula
C25H26BrF3N4O5
Mass
599.405
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
Naphthyridines Bromobenzenes Aryl bromides Pyridines and derivatives Imidolactams Alpha-halocarboxylic acids Heteroaromatic compounds 1,2,4-oxadiazoles Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Amines Organic oxides Organobromides Organofluorides
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - Naphthyridine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - 1,2,4-oxadiazole - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Heteroaromatic compound - Oxadiazole - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organobromide - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - 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