Compound Identification
SMILES
CCC[C@@]1([NH2+][C@@H]([C@@H]2[C@@H]1C(=O)N(C2=O)C1=CC(Cl)=CC=C1)C1=CC=CC=C1O)C([O-])=O
InChIKey
InChIKey=NKFNYMLSWOYBRB-FBAVSBLXSA-N
Formula
C22H21ClN2O5
Mass
428.87
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
Beta amino acids and derivatives D-alpha-amino acids L-alpha-amino acids Pyrrolidine carboxylic acids Chlorobenzenes Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids N-substituted carboxylic acid imides Pyrrolidine-2-ones Aryl chlorides Dicarboximides Quaternary ammonium salts Pyrroles Lactams Tertiary amines Amino acids Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Beta amino acid or derivatives - 2-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - D-alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Aralkylamine - Chlorobenzene - Carboxylic acid imide, n-substituted - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 2-pyrrolidone - Pyrrolidone - Benzenoid - Dicarboximide - Pyrrole - Carboxylic acid imide - Quaternary ammonium salt - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Tertiary amine - Lactam - Monocarboxylic acid or derivatives - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Organochloride - Amine - Organic salt - Organic zwitterion - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen 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