Compound Identification
SMILES
CC(C)(C)OC(=O)NC1CCCN2C(=O)C(CC3=CC=CC=C3)(CC12O)C(O)=O
InChIKey
InChIKey=RYXBQAXAHPACIL-UHFFFAOYSA-N
Formula
C21H28N2O6
Mass
404.463
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
Indolizidines Pyrrolidine carboxylic acids Pyrrolidine-2-ones Piperidines N-alkylpyrrolidines Benzene and substituted derivatives Tertiary carboxylic acid amides Carbamate esters Lactams Alkanolamines Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Indolizidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Piperidine - Pyrrolidone - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidine - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Alkanolamine - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen 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