Compound Identification
SMILES
CC1=CC=CC=C1N1C(=O)C2C(NC(C)(C2C1=O)C(O)=O)C1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=CPTHWUSFUWRLGW-UHFFFAOYSA-N
Formula
C23H22N2O6
Mass
422.437
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Alpha amino acids Benzo-1,4-dioxanes Pyrrolidine carboxylic acids Toluenes Alkyl aryl ethers Aralkylamines Pyrrolidine-2-ones Para dioxins N-substituted carboxylic acid imides Pyrroles Dicarboximides Amino acids Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - 2-phenylpyrrolidine - Alpha-amino acid - Benzodioxane - Benzo-1,4-dioxane - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Aralkylamine - Toluene - Monocyclic benzene moiety - Para-dioxin - Benzenoid - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Pyrrole - Carboxylic acid imide - Dicarboximide - Lactam - Amino acid or derivatives - Amino acid - Oxacycle - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Amine - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available