Compound Identification
SMILES
OC(=C1[C@@H](N(CC2=CC=CO2)C(=O)C1=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=NKJCIBVWIZMIFH-SANMLTNESA-N
Formula
C29H22BrNO5
Mass
544.401
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides N-alkylpyrrolidines Vinylogous acids Tertiary carboxylic acid amides Pyrroles Furans Heteroaromatic compounds Cyclic ketones Lactams Oxacyclic compounds Azacyclic compounds Enols Organobromides Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous acid - Tertiary carboxylic acid amide - Furan - Carboxamide group - Cyclic ketone - Lactam - Ketone - Oxacycle - Azacycle - Carboxylic acid derivative - Enol - Ether - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organic oxygen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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