Compound Identification
SMILES
COCCCN1C(C(=C(O)C2=CC=C(Cl)C=C2)C(=O)C1=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=HUIZTXNAHWXQCM-UHFFFAOYSA-N
Formula
C22H22ClNO4
Mass
399.87
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
Toluenes Chlorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl chlorides N-alkylpyrrolidines Vinylogous acids Tertiary carboxylic acid amides Pyrroles Cyclic ketones Lactams Azacyclic compounds Dialkyl ethers Enols Organic oxides Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Halobenzene - Chlorobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - N-alkylpyrrolidine - 2-pyrrolidone - 3-pyrrolidone - Vinylogous acid - Pyrrole - Tertiary carboxylic acid amide - Lactam - Ketone - Cyclic ketone - Carboxamide group - Carboxylic acid derivative - Azacycle - Dialkyl ether - Enol - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - 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