Compound Identification
SMILES
CC(C)C1=CC=C(C=C1)[C@@H]1N(CC[NH+](C)C)C(=O)C(=O)\C1=C(\O)C1=CC=C(OCC=C)C=C1
InChIKey
InChIKey=CJXKPDKXVFPYDA-NXLSWJSLSA-O
Formula
C27H33N2O4
Mass
449.57
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 Phenylpropanes Cumenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones N-alkylpyrrolidines Vinylogous acids Tertiary carboxylic acid amides Quaternary ammonium salts Pyrroles Trialkylamines Amino acids and derivatives Cyclic ketones Lactams Enols Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - Vinylogous acid - Tertiary carboxylic acid amide - Quaternary ammonium salt - Pyrrole - Amino acid or derivatives - Cyclic ketone - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic cation - 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