Structure Information
Structure

Compound Identification

SMILES

CC1CN(CCC(=O)C2=CC3=C(OCCO3)C=C2)CC1C1=CC=CC=C1

InChIKey

InChIKey=ZQDSJXICMNDKBG-UHFFFAOYSA-N

Formula

C22H25NO3

Mass

351.446

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Phenylpyrrolidines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrrolidines

Alternative Parents

Benzo-1,4-dioxanes Aryl alkyl ketones Aralkylamines Alkyl aryl ethers Para dioxins N-alkylpyrrolidines Beta-amino ketones Benzene and substituted derivatives Pyrroles Trialkylamines Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpyrrolidine - Benzo-1,4-dioxane - Benzodioxane - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Beta-aminoketone - Para-dioxin - N-alkylpyrrolidine - Benzenoid - Pyrrole - Tertiary amine - Ketone - Tertiary aliphatic amine - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - 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

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