Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.COC1CCN(C[C@H]2CCN(C2=O)C2=CC=C(Cl)C=C2)CC1
InChIKey
InChIKey=ASQZAWLDMONESR-CSCOWPIISA-N
Formula
C21H27ClN2O6
Mass
438.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Chlorobenzenes Unsaturated fatty acids Aryl chlorides Pyrrolidine-2-ones Piperidines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Pyrroles Amino acids and derivatives Trialkylamines Lactams Dialkyl ethers Carboxylic acids Azacyclic compounds Organochlorides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
1-phenylpyrrolidine - Halobenzene - Chlorobenzene - Dicarboxylic acid or derivatives - Aryl chloride - Aryl halide - Piperidine - Pyrrolidone - 2-pyrrolidone - Unsaturated fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Pyrrole - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Lactam - Amino acid or derivatives - Tertiary amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteromonocyclic 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