Compound Identification
SMILES
COC1=CC=C(C=C1)C(O)=C1C(N(CC2=CC=CC=C2)C(=O)C1=O)C1=CC(OC)=C(O)C(Br)=C1
InChIKey
InChIKey=HGBZMDFAGIRLNI-UHFFFAOYSA-N
Formula
C26H22BrNO6
Mass
524.367
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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
Methoxyphenols Anisoles Methoxybenzenes Phenoxy compounds O-bromophenols Alkyl aryl ethers Bromobenzenes Aryl bromides Pyrrolidine-3-ones Pyrrolidine-2-ones N-alkylpyrrolidines Pyrroles Vinylogous acids Tertiary carboxylic acid amides Lactams Cyclic ketones Enols Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Methoxyphenol - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 2-bromophenol - 2-halophenol - Alkyl aryl ether - Bromobenzene - Phenol - Halobenzene - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Vinylogous acid - Tertiary carboxylic acid amide - Pyrrole - Cyclic ketone - Lactam - Ketone - Carboxamide group - Azacycle - Carboxylic acid derivative - Enol - Ether - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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