Compound Identification
SMILES
CC[NH+](CC)CCCN1C(C(=C([O-])C2=CC3=C(OC(C)C3)C=C2)C(=O)C1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=VEKMSDZCCLFOSK-UHFFFAOYSA-N
Formula
C27H31ClN2O4
Mass
483.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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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
Coumarans Alkyl aryl ethers Chlorobenzenes Aryl chlorides N-alkylpyrrolidines Pyrrolidine-2-ones Pyrrolidine-3-ones Tertiary carboxylic acid amides Pyrroles Vinylogous acids Quaternary ammonium salts Amino acids and derivatives Lactams Cyclic ketones Trialkylamines Oxacyclic compounds Azacyclic compounds Organochlorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Coumaran - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - Benzenoid - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Vinylogous acid - Pyrrole - Quaternary ammonium salt - Tertiary carboxylic acid amide - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Ketone - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Organic zwitterion - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic salt - 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