Compound Identification
SMILES
COCCCN1C(C(=C(O)C2=CC3=C(OCCO3)C=C2)C(=O)C1=O)C1=CC=C(C=C1)C(C)C
InChIKey
InChIKey=YBMQUYSYBJJEOY-UHFFFAOYSA-N
Formula
C26H29NO6
Mass
451.519
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Aromatic monoterpenoids Benzo-1,4-dioxanes Bicyclic monoterpenoids Cumenes Phenylpropanes Alkyl aryl ethers Para dioxins Pyrrolidine-2-ones N-alkylpyrrolidines Pyrrolidine-3-ones Vinylogous acids Pyrroles Tertiary carboxylic acid amides Lactams Cyclic ketones Oxacyclic compounds Azacyclic compounds Enols Dialkyl ethers Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Benzo-1,4-dioxane - Benzodioxane - Bicyclic monoterpenoid - Cumene - Phenylpropane - Alkyl aryl ether - Monocyclic benzene moiety - Para-dioxin - Benzenoid - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - N-alkylpyrrolidine - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Cyclic ketone - Carboxamide group - Ketone - Lactam - Enol - Dialkyl ether - Carboxylic acid derivative - Azacycle - Oxacycle - Ether - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen 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