Compound Identification
SMILES
CC[NH+](CC)CCN1[C@H](C(=C([O-])C2=C(C)C=C(OCC=C)C=C2)C(=O)C1=O)C1=CC=C(C=C1)C(C)C
InChIKey
InChIKey=XZGUVIOXQURSNX-MHZLTWQESA-N
Formula
C30H38N2O4
Mass
490.644
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Monocyclic monoterpenoids Aromatic monoterpenoids Cumenes Phenylpropanes Phenol ethers Phenoxy compounds Toluenes Alkyl aryl ethers N-alkylpyrrolidines Pyrrolidine-3-ones Pyrrolidine-2-ones Quaternary ammonium salts Tertiary carboxylic acid amides Vinylogous acids Pyrroles Amino acids and derivatives Trialkylamines Lactams Cyclic ketones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Vinylogous acid - Pyrrole - Tertiary carboxylic acid amide - Quaternary ammonium salt - Tertiary aliphatic amine - Cyclic ketone - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Ketone - Carboxylic acid derivative - Azacycle - Ether - Organic zwitterion - Organic nitrogen compound - Organic salt - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organooxygen 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