Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(O)=C1C(N(CCCN(C)C)C(=O)C1=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=IQGSWJIVDSDLAU-UHFFFAOYSA-N
Formula
C24H27BrN2O5
Mass
503.393
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
Dimethoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Pyrrolidine-3-ones Pyrrolidine-2-ones N-alkylpyrrolidines Vinylogous acids Tertiary carboxylic acid amides Pyrroles Cyclic ketones Trialkylamines Amino acids and derivatives Lactams Enols Azacyclic compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Pyrrolidone - 2-pyrrolidone - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Aryl halide - 3-pyrrolidone - Tertiary carboxylic acid amide - Vinylogous acid - Pyrrole - Amino acid or derivatives - Cyclic ketone - Carboxamide group - Tertiary aliphatic amine - Ketone - Lactam - Tertiary amine - Ether - Enol - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organohalogen compound - Organobromide - 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