Compound Identification
SMILES
CCCCOC1=CC=C(C=C1)C(O)=C1C(N(C2=NC(C)=C(S2)C(=O)OC)C(=O)C1=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=CLDQZVGHWKCFFI-UHFFFAOYSA-N
Formula
C27H25BrN2O6S
Mass
585.47
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
Thiazolecarboxylic acids and derivatives Phenoxy compounds Phenol ethers 2,4,5-trisubstituted thiazoles Alkyl aryl ethers Bromobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Methyl esters Heteroaromatic compounds Lactams Cyclic ketones Azacyclic compounds Enols Organobromides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Phenol ether - Thiazolecarboxylic acid or derivatives - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Heteroaromatic compound - Azole - Vinylogous acid - Methyl ester - Pyrrole - Tertiary carboxylic acid amide - Thiazole - Cyclic ketone - Carboxylic acid ester - Carboxamide group - Ketone - Lactam - Azacycle - Carboxylic acid derivative - Enol - Ether - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic oxide - 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