Compound Identification
SMILES
[O-]C(=C1C(N(CCC[NH+]2CCOCC2)C(=O)C1=O)C1=CC=C(OCC=C)C=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=KBQTYQPHACZSST-UHFFFAOYSA-N
Formula
C27H29ClN2O5
Mass
496.99
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 Chlorobenzenes Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones Morpholines Aryl chlorides N-alkylpyrrolidines Pyrroles Vinylogous acids Quaternary ammonium salts Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Lactams Cyclic ketones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic salts Organochlorides Organic oxides Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Aryl chloride - Monocyclic benzene moiety - Morpholine - Benzenoid - Oxazinane - Aryl halide - N-alkylpyrrolidine - Pyrrole - Tertiary carboxylic acid amide - Vinylogous acid - Quaternary ammonium salt - Amino acid or derivatives - Carboxamide group - Ketone - Lactam - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Azacycle - Organic zwitterion - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Organohalogen 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