Compound Identification
SMILES
C[C@@H]1CC2=C(O1)C=CC(=C2)C([O-])=C1[C@H](N(CCCN2CCOCC2)C(=O)C1=O)C1=CC=CC=C1F
InChIKey
InChIKey=XXTLYKDCQKSYNE-MZNJEOGPSA-M
Formula
C27H28FN2O5
Mass
479.529
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
Coumarans Alkyl aryl ethers Fluorobenzenes Aryl fluorides Pyrrolidine-3-ones Pyrrolidine-2-ones Morpholines N-alkylpyrrolidines Vinylogous acids Tertiary carboxylic acid amides Pyrroles Lactams Trialkylamines Cyclic ketones Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Coumaran - Alkyl aryl ether - Halobenzene - Fluorobenzene - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Monocyclic benzene moiety - Aryl halide - Benzenoid - Morpholine - Oxazinane - N-alkylpyrrolidine - Aryl fluoride - Vinylogous acid - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Carboxamide group - Ketone - Lactam - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic anion - 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