Compound Identification
SMILES
COC1=CC([C@@H]2N(CC[NH+](C)C)C(=O)C(=O)C2=C(O)C2=CC3=C(OCCO3)C=C2)=C(OC)C=C1
InChIKey
InChIKey=XQOOMYQSDUPOHO-QFIPXVFZSA-O
Formula
C25H29N2O7
Mass
469.513
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
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
Benzo-1,4-dioxanes Dimethoxybenzenes Phenoxy compounds Anisoles 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 - P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Para-dioxin - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Vinylogous acid - Quaternary ammonium salt - Tertiary carboxylic acid amide - Pyrrole - Tertiary amine - Cyclic ketone - Tertiary aliphatic amine - Carboxamide group - Ketone - Lactam - Amino acid or derivatives - Ether - Enol - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen 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