Compound Identification
SMILES
CNC(=O)[C@H]1[C@H]([C@H]2CCC(=O)N2[C@H]1C1=CC(OC)=C(OC)C=C1)C(O)=O
InChIKey
InChIKey=PVKXEZWIHBYMBF-BWAGICSOSA-N
Formula
C18H22N2O6
Mass
362.382
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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
Dimethoxybenzenes Pyrrolizidinones Anisoles Pyrrolidinecarboxamides Phenoxy compounds Pyrrolidine carboxylic acids Alkyl aryl ethers N-alkylpyrrolidines Pyrrolidine-2-ones Tertiary carboxylic acid amides Pyrroles Lactams Secondary carboxylic acid amides Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Dimethoxybenzene - O-dimethoxybenzene - Pyrrolizidinone - Anisole - Phenol ether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Pyrrolizidine - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Pyrrolidone - 2-pyrrolidone - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrole - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Amine - Organic oxide - Carbonyl group - 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