Compound Identification
SMILES
CN(C(C)=O)C1=CC=C(C=C1)N=C(C1C(=O)NC2=C1C=CC(Cl)=C2)C1=CC(CCC(O)=O)=CC=C1
InChIKey
InChIKey=YMFVPCIAJZYASI-UHFFFAOYSA-N
Formula
C27H24ClN3O4
Mass
489.96
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
Acetanilides Indolines Aryl chlorides Tertiary carboxylic acid amides Secondary ketimines Acetamides Azomethines Secondary carboxylic acid amides Lactams Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Acetanilide - Dihydroindole - Indole or derivatives - Anilide - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Azomethine - Acetamide - Secondary ketimine - Secondary carboxylic acid amide - Ketimine - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organopnictogen compound - Imine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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