Compound Identification
SMILES
COC1=CC=C(C=C1)C1N(C(=O)C(=O)C1=C(O)C1=CC=NC=C1)C1=NC(C)=C(S1)C(=O)OCC=C
InChIKey
InChIKey=JJPQAUYPPOZPBO-UHFFFAOYSA-N
Formula
C25H21N3O6S
Mass
491.52
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
2,4,5-trisubstituted thiazoles Thiazolecarboxylic acids and derivatives Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones Pyridines and derivatives Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Carboxylic acid esters Lactams Azacyclic compounds Enols Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Anisole - Phenol ether - Thiazolecarboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Azole - Vinylogous acid - Pyrrole - Thiazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Cyclic ketone - Carboxamide group - Carboxylic acid ester - Lactam - Ketone - Azacycle - Carboxylic acid derivative - Enol - Ether - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen 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