Compound Identification
SMILES
CCCCC1=NC=C(COC(=O)C(CC2=CC=CC=C2)C(O)=O)N1CC1=CC=CC=C1Cl
InChIKey
InChIKey=JCIMXLRRSOAWNZ-UHFFFAOYSA-N
Formula
C25H27ClN2O4
Mass
454.95
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
1,2,5-trisubstituted imidazoles Imidazolyl carboxylic acids and derivatives Chlorobenzenes Fatty acid esters 1,3-dicarbonyl compounds Aryl chlorides Dicarboxylic acids and derivatives N-substituted imidazoles Heteroaromatic compounds Carboxylic acid esters Carboxylic acids Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - 1,2,5-trisubstituted-imidazole - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - N-substituted imidazole - Fatty acyl - 1,3-dicarbonyl compound - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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