Compound Identification
SMILES
CC1=CC(OCC2=CC(C(=O)NC3(CCOCC3)C3=CC(C)=CC=C3)=C(CCC(O)=O)C=C2)=C(Cl)C=C1
InChIKey
InChIKey=DJMPDKHDYVNZOV-UHFFFAOYSA-N
Formula
C30H32ClNO5
Mass
522.04
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
Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Alkyl aryl ethers Chlorobenzenes Oxanes Aryl chlorides Secondary carboxylic acid amides Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkyl ethers Carbonyl compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Benzoic acid or derivatives - Benzamide - Benzoyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Toluene - Halobenzene - Aryl halide - Oxane - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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