Compound Identification
SMILES
COC1=C(OCC#CC2=CC=C(C=C2)C(F)(F)F)C=C(C=C1)[C@@H]1CN(C[C@@]1(C)[C@@H](C)O)C(=O)[C@@H](O)CO
InChIKey
InChIKey=FHJYTIMUZZJPBC-OJELSEKLSA-N
Formula
C27H30F3NO6
Mass
521.533
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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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
Trifluoromethylbenzenes Phenoxy compounds Anisoles Methoxybenzenes N-acylpyrrolidines Alkyl aryl ethers Monosaccharides Tertiary carboxylic acid amides Pyrroles Secondary alcohols Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organonitrogen compounds Alkyl fluorides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrrolidine - Trifluoromethylbenzene - Phenoxy compound - Anisole - N-acylpyrrolidine - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Secondary alcohol - Carboxylic acid derivative - Ether - Azacycle - Primary alcohol - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen 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