Compound Identification
SMILES
COCCCN1C(\C(=C(/O)C2=C(C)C=C(OCC3=CC=CC=C3)C=C2)C(=O)C1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=KGWADFOADUCTSV-IMVLJIQESA-N
Formula
C29H28BrNO5
Mass
550.449
Taxonomic Classification
Taxonomy Tree
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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
Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Bromobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides N-alkylpyrrolidines Vinylogous acids Tertiary carboxylic acid amides Pyrroles Lactams Cyclic ketones Azacyclic compounds Dialkyl ethers Enols Organic oxides Hydrocarbon derivatives Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Phenol ether - Phenoxy compound - Halobenzene - Alkyl aryl ether - Toluene - Bromobenzene - Benzenoid - N-alkylpyrrolidine - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Tertiary carboxylic acid amide - Pyrrole - Vinylogous acid - Cyclic ketone - Lactam - Ketone - Carboxamide group - Azacycle - Carboxylic acid derivative - Dialkyl ether - Enol - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - 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