Compound Identification
SMILES
CC1=C(CC(=O)NC2=CC=CC(=C2)C(CC(O)=O)C2CCCO2)C=CC2=C1OC(NC1=CC=CC=C1Cl)=N2
InChIKey
InChIKey=LUNSQRORCCQZNC-UHFFFAOYSA-N
Formula
C29H28ClN3O5
Mass
534.01
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
Anilides Benzoxazoles Aniline and substituted anilines N-arylamides Chlorobenzenes Aryl chlorides Oxolanes Oxazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Secondary amines Dialkyl ethers Oxacyclic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Anilide - Benzoxazole - N-arylamide - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Azole - Oxazole - Oxolane - Heteroaromatic compound - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - 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