Compound Identification
SMILES
CCOC1=C(F)C=C(C=C1)[C@H](CC(O)=O)N1CCN(CCCC2=NC3=C(CCCN3)C=C2)C1=O
InChIKey
InChIKey=LDUKSVZQRUFUNL-NRFANRHFSA-N
Formula
C25H31FN4O4
Mass
470.545
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 Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes Pyridines and derivatives Aryl fluorides Imidolactams Imidazolidinones Heteroaromatic compounds Ureas Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Amines Carbonyl compounds Organopnictogen compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Diazanaphthalene - Naphthyridine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Imidazolidinone - Aryl halide - Imidolactam - Benzenoid - Pyridine - Monocyclic benzene moiety - Imidazolidine - Heteroaromatic compound - Urea - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Organohalogen compound - Organofluoride - 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