Compound Identification
SMILES
COC1=CC=C(C=C1)[C@H]1N(CCC[NH+](C)C)C(=O)C(=O)\C1=C(/O)C1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=KYWNVPCLANSZDX-RKKARLDVSA-O
Formula
C25H29N2O6
Mass
453.514
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
Benzo-1,4-dioxanes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones Para dioxins N-alkylpyrrolidines Vinylogous acids Tertiary carboxylic acid amides Quaternary ammonium salts Pyrroles Trialkylamines Amino acids and derivatives Cyclic ketones Lactams Oxacyclic compounds Enols Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Benzo-1,4-dioxane - Benzodioxane - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Para-dioxin - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Quaternary ammonium salt - Tertiary carboxylic acid amide - Pyrrole - Vinylogous acid - Tertiary amine - Ketone - Amino acid or derivatives - Tertiary aliphatic amine - Cyclic ketone - Carboxamide group - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Enol - Ether - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic cation - 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