Compound Identification
SMILES
COC1=CC=C(C=C1)C(O)=C1C(N(CC2=CN=CC=C2)C(=O)C1=O)C1=CC=C(C=C1)C(C)C
InChIKey
InChIKey=LKSWJXQAMAKYHW-UHFFFAOYSA-N
Formula
C27H26N2O4
Mass
442.515
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
Aromatic monoterpenoids Monocyclic monoterpenoids Cumenes Phenylpropanes Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyridines and derivatives Pyrrolidine-3-ones Pyrrolidine-2-ones N-alkylpyrrolidines Pyrroles Tertiary carboxylic acid amides Vinylogous acids Heteroaromatic compounds Lactams Cyclic ketones Azacyclic compounds Enols Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Methoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyridine - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Vinylogous acid - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Lactam - Cyclic ketone - Azacycle - Carboxylic acid derivative - Enol - Ether - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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