Compound Identification
SMILES
CCOC1=CC=CC(=C1)C(O)=C1C(N(CCCN2C=CN=C2)C(=O)C1=O)C1=CC(OCC)=C(O)C=C1
InChIKey
InChIKey=IHTGSPWNCFGTNX-UHFFFAOYSA-N
Formula
C27H29N3O6
Mass
491.544
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
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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
Phenol ethers Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers N-alkylpyrrolidines N-substituted imidazoles Pyrrolidine-3-ones Pyrrolidine-2-ones Tertiary carboxylic acid amides Vinylogous acids Heteroaromatic compounds Pyrroles Lactams Cyclic ketones Enols Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - N-substituted imidazole - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Heteroaromatic compound - Vinylogous acid - Azole - Pyrrole - Tertiary carboxylic acid amide - Imidazole - Cyclic ketone - Carboxamide group - Ketone - Lactam - Carboxylic acid derivative - Ether - Enol - Azacycle - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic 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