Compound Identification
SMILES
COC(=O)C1=C(C)N=C(S1)N1C(C(=C(O)C2=CC(F)=C(C)C=C2)C(=O)C1=O)C1=CC(OC)=C(OC)C(OC)=C1
InChIKey
InChIKey=GJEBZNKKFSSQPQ-UHFFFAOYSA-N
Formula
C27H25FN2O8S
Mass
556.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
Class
Pyrrolidines
-
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 Toluenes Alkyl aryl ethers Fluorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl fluorides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Methyl esters Cyclic ketones Lactams Enols Azacyclic compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Thiazolecarboxylic acid or derivatives - Alkyl aryl ether - Halobenzene - Fluorobenzene - Toluene - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Vinylogous acid - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Azole - Methyl ester - Cyclic ketone - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - 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