Compound Identification
SMILES
CNCC1=CC(=CC=C1)N=C(C1C(=O)NC2=C1C=CC(Cl)=C2)C1=CC=C(CCC(O)=O)C=C1
InChIKey
InChIKey=YRXSUYZSXZVDTC-UHFFFAOYSA-N
Formula
C26H24ClN3O3
Mass
461.95
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
Indolines Benzylamines Phenylmethylamines Aralkylamines Aryl chlorides Azomethines Secondary ketimines Secondary carboxylic acid amides Amino acids Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Organochlorides Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Indole or derivatives - Dihydroindole - Phenylmethylamine - Benzylamine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azomethine - Secondary ketimine - Carboxamide group - Secondary carboxylic acid amide - Ketimine - Amino acid - Amino acid or derivatives - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Imine - Organic oxide - Hydrocarbon derivative - Amine - Organooxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen 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