Compound Identification
SMILES
CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=CC(CCC(O)=O)=C1
InChIKey
InChIKey=FTQKQNWHSJJCCY-UHFFFAOYSA-N
Formula
C17H19N7O2
Mass
353.386
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
Pteridines and derivatives Aniline and substituted anilines Dialkylarylamines Aminopyrimidines and derivatives Aralkylamines Pyrazines Imidolactams Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Pteridine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Aralkylamine - Monocyclic benzene moiety - Pyrazine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary amine - Amino acid - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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