Compound Identification
SMILES
COC1=CC=C(C=C1)C(O)=C1C(N(CCCN)C(=O)C1=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=JLNXWPGGJMVDGK-UHFFFAOYSA-N
Formula
C21H21ClN2O4
Mass
400.86
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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
Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Pyrrolidine-2-ones N-alkylpyrrolidines Pyrrolidine-3-ones Aryl chlorides Pyrroles Vinylogous acids Tertiary carboxylic acid amides Amino acids and derivatives Lactams Cyclic ketones Azacyclic compounds Enols Hydrocarbon derivatives Monoalkylamines Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Pyrrole - Tertiary carboxylic acid amide - Vinylogous acid - Lactam - Carboxamide group - Ketone - Cyclic ketone - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Enol - Ether - Organic oxygen compound - Organonitrogen compound - Amine - Organooxygen compound - Carbonyl group - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Primary aliphatic amine - 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