Compound Identification
SMILES
CCOC1=CC=C(C=C1)N1C(C#N)[C@@]23O[C@@H](C=C2)[C@@H]([C@@H]3C1=O)C(O)=O
InChIKey
InChIKey=FQQKKNXTBBHMDZ-LTTJGMOWSA-N
Formula
C18H16N2O5
Mass
340.335
Taxonomic Classification
Taxonomy Tree
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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
Isoindolones Furopyrroles Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyrrolidine-2-ones Tertiary carboxylic acid amides Dihydrofurans Furans Pyrroles Oxolanes Lactams Dialkyl ethers Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Nitriles Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Isoindolone - Isoindole or derivatives - Isoindoline - Phenoxy compound - Phenol ether - Furopyrrole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Dihydrofuran - Oxolane - Pyrrole - Tertiary carboxylic acid amide - Furan - Carboxamide group - Lactam - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Azacycle - Nitrile - Monocarboxylic acid or derivatives - Carbonitrile - Carbonyl group - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - 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