Compound Identification
SMILES
CN(C)CCC1=CC=C(N\C(=C2/C(=O)NC3=C2C=CC(Cl)=C3)C2=CC=C(CCC(O)=O)C=C2)C=C1
InChIKey
InChIKey=LSGCZBZIUYDZGH-RQZHXJHFSA-N
Formula
C28H28ClN3O3
Mass
490.0
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
Phenethylamines Indolines Aniline and substituted anilines Secondary alkylarylamines Aralkylamines Aryl chlorides Vinylogous amides Trialkylamines Secondary carboxylic acid amides Amino acids Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Enamines Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Phenethylamine - Indole or derivatives - Dihydroindole - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Amino acid - Amino acid or derivatives - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Enamine - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Amine - 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