Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.FC1=CC=CC=C1C(OC(=O)NC1=CC=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1)N1CCCC1=N
InChIKey
InChIKey=SHAWIBPSSXPHCL-UHFFFAOYSA-N
Formula
C31H30ClFN4O10
Mass
673.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
Phenylcarbamic acid esters Phenylacetamides Benzyloxycarbonyls Tricarboxylic acids and derivatives Anilides N-arylamides Chlorobenzenes Fluorobenzenes Alpha hydroxy acids and derivatives Aryl chlorides Aryl fluorides Imidolactams Tertiary alcohols Pyrroles Carbamate esters Secondary carboxylic acid amides Carboxamidines Azacyclic compounds Carboxylic acids Carbonyl compounds Organochlorides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Phenylcarbamic acid ester - 1-phenylpyrrolidine - Benzyloxycarbonyl - Phenylacetamide - Tricarboxylic acid or derivatives - Anilide - N-arylamide - Halobenzene - Chlorobenzene - Fluorobenzene - Imidolactam - Benzenoid - Aryl fluoride - Hydroxy acid - Aryl halide - Aryl chloride - Alpha-hydroxy acid - Monocyclic benzene moiety - Carbamic acid ester - Tertiary alcohol - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Amidine - Azacycle - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Alcohol - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organochloride - Organohalogen 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