Compound Identification
SMILES
CC1=C(NC(=O)COC2=CC=C(C=C2)N2C[C@H](CC2=O)C(=O)NCC2=CC3=C(OCO3)C=C2)C=CC(Br)=C1
InChIKey
InChIKey=HEWWUQJNIOCPTA-IBGZPJMESA-N
Formula
C28H26BrN3O6
Mass
580.435
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
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
Benzodioxoles Anilides Pyrrolidinecarboxamides Phenoxy compounds Phenol ethers N-arylamides Toluenes Bromobenzenes Alkyl aryl ethers Pyrrolidine-2-ones Aryl bromides Tertiary carboxylic acid amides Pyrroles Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Anilide - Benzodioxole - Phenoxy compound - N-arylamide - Pyrrolidine-3-carboxamide - Pyrrolidine carboxylic acid or derivatives - Phenol ether - Toluene - Halobenzene - Bromobenzene - Alkyl aryl ether - Benzenoid - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Tertiary carboxylic acid amide - Pyrrole - Secondary carboxylic acid amide - Lactam - Carboxamide group - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - 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