Compound Identification
SMILES
[Cl-].NC(=O)CC12CC[N+](CCCCCCC[C@@H]([C@H](CC3=CC=CC=C3)C(O)=O)C(O)=O)(CC1)CC2
InChIKey
InChIKey=SLETUYLPRQTZPK-BMIHBIEASA-N
Formula
C27H41ClN2O5
Mass
509.08
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
Quinuclidines Medium-chain fatty acids Aralkylamines Branched fatty acids Heterocyclic fatty acids Piperidines Benzene and substituted derivatives Dicarboxylic acids and derivatives Tetraalkylammonium salts Primary carboxylic acid amides Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Quinuclidine - Medium-chain fatty acid - Branched fatty acid - Heterocyclic fatty acid - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Fatty acid - Fatty acyl - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Amine - Organic salt - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organic nitrogen 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