Compound Identification
SMILES
CCC1=C\C(=C2\NNC=C2)C(=O)C=C1OCCCOC1=CC=C(CCC(O)=O)C=C1
InChIKey
InChIKey=KRZGOASSCYFTBX-VXPUYCOJSA-N
Formula
C23H26N2O5
Mass
410.47
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
Phenoxy compounds Phenol ethers O-quinomethanes Alkyl aryl ethers Vinylogous esters Vinylogous amides Pyrazolines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Phenoxy compound - O-quinomethane - Phenol ether - Quinomethane - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Vinylogous amide - Pyrazoline - Ketone - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxide - Hydrazine derivative - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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