Compound Identification
SMILES
COC1=C(O)C(Br)=CC(=C1)C1N(C(=O)C(=O)C1=C(O)C1=CC2=C(OCCO2)C=C1)C1=NC(C)=C(S1)C(=O)OCC=C
InChIKey
InChIKey=PNIFNQMTGQKNTQ-UHFFFAOYSA-N
Formula
C28H23BrN2O9S
Mass
643.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Benzo-1,4-dioxanes Methoxyphenols 2,4,5-trisubstituted thiazoles Anisoles Methoxybenzenes Thiazolecarboxylic acids and derivatives O-bromophenols Phenoxy compounds Bromobenzenes Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones Para dioxins Aryl bromides Tertiary carboxylic acid amides Pyrroles Vinylogous acids Heteroaromatic compounds Cyclic ketones Carboxylic acid esters Lactams Enols Oxacyclic compounds Azacyclic compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Benzo-1,4-dioxane - Methoxyphenol - Benzodioxane - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Anisole - 2-halophenol - Phenol ether - Methoxybenzene - 2-bromophenol - Thiazolecarboxylic acid or derivatives - Alkyl aryl ether - Phenol - Halobenzene - Bromobenzene - 2-pyrrolidone - Pyrrolidone - 3-pyrrolidone - Monocyclic benzene moiety - Benzenoid - Aryl halide - Para-dioxin - Aryl bromide - Pyrrole - Tertiary carboxylic acid amide - Thiazole - Vinylogous acid - Azole - Heteroaromatic compound - Cyclic ketone - Carboxamide group - Carboxylic acid ester - Lactam - Ketone - Carboxylic acid derivative - Azacycle - Oxacycle - Enol - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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