Compound Identification
SMILES
COC1=C(O)C(Br)=CC(=C1)C1N(CCCN2CCOCC2)C(=O)C(=O)C1=C(O)C1=C(C)C=CC(C)=C1
InChIKey
InChIKey=KIOGQHHIXMXBPS-UHFFFAOYSA-N
Formula
C27H31BrN2O6
Mass
559.457
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 p-Xylenes Anisoles Methoxybenzenes O-bromophenols Phenoxy compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Pyrrolidine-3-ones Pyrrolidine-2-ones Morpholines N-alkylpyrrolidines Vinylogous acids Tertiary carboxylic acid amides Pyrroles Trialkylamines Amino acids and derivatives Lactams Cyclic ketones Enols Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Methoxyphenol - Phenoxy compound - Anisole - P-xylene - Xylene - 2-bromophenol - 2-halophenol - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Phenol - Morpholine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Oxazinane - Benzenoid - N-alkylpyrrolidine - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Amino acid or derivatives - Cyclic ketone - Ketone - Carboxamide group - Lactam - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Enol - Ether - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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