Compound Identification
SMILES
C[N+]1=CC=CC(=C1)C(N)=O.CC(C)CC1=CC=C(C=C1)C(C)C([O-])=O
InChIKey
InChIKey=ZWDBMELPGMYADF-UHFFFAOYSA-N
Formula
C20H26N2O3
Mass
342.439
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
Aromatic monoterpenoids Monocyclic monoterpenoids Phenylpropanes Nicotinamides N-methylpyridinium compounds Pyridinium derivatives Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Carboxylic acid salts Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
2-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Nicotinamide - Phenylpropane - Pyridine carboxylic acid or derivatives - N-methylpyridinium - Monocyclic benzene moiety - Benzenoid - Pyridinium - Pyridine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid salt - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic cation - 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