Compound Identification
SMILES
COC1=C(F)C=C(C=C1)C(CC(O)=O)CC1=NC(CCCC2=NC3=C(C=C2)N(C)CCN3)=NO1
InChIKey
InChIKey=NGHDDAICORKIND-UHFFFAOYSA-N
Formula
C24H28FN5O4
Mass
469.517
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
Phenoxy compounds Anisoles Methoxybenzenes Dialkylarylamines Alkyl aryl ethers Fluorobenzenes Pyridines and derivatives Imidolactams Aryl fluorides 1,2,4-oxadiazoles Heteroaromatic compounds Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Anisole - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl halide - Imidolactam - Benzenoid - Aryl fluoride - Pyridine - Monocyclic benzene moiety - Oxadiazole - 1,2,4-oxadiazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Amino acid - Tertiary amine - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen 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