Compound Identification
SMILES
CCCCOC1=CC=C(C=C1)C(O)=C1C(N(C2=NC(C)=C(S2)C(=O)OCC)C(=O)C1=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=UFMDOPQKOTVIMY-UHFFFAOYSA-N
Formula
C28H27FN2O6S
Mass
538.59
Taxonomic Classification
Taxonomy Tree
-
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 Fluorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl fluorides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Carboxylic acid esters Cyclic ketones Lactams Azacyclic compounds Enols Organofluorides 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 - Fluorobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyrrolidone - 3-pyrrolidone - 2-pyrrolidone - Tertiary carboxylic acid amide - Pyrrole - Thiazole - Vinylogous acid - Azole - Heteroaromatic compound - Cyclic ketone - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - 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