Compound Identification
SMILES
CCCCOC1=C(OCC)C=C(C=C1)C1N(C2=NC(C)=C(S2)C(C)=O)C(=O)C(=O)C1=C(O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=BTRUBUPLOXIWNW-UHFFFAOYSA-N
Formula
C29H29ClN2O6S
Mass
569.07
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
2,4,5-trisubstituted thiazoles Aryl alkyl ketones Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Pyrrolidine-3-ones Aryl chlorides Pyrrolidine-2-ones Heteroaromatic compounds Vinylogous acids Tertiary carboxylic acid amides Pyrroles Lactams Cyclic ketones Enols Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - 2,4,5-trisubstituted 1,3-thiazole - Phenol ether - Aryl ketone - Aryl alkyl ketone - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Benzenoid - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Vinylogous acid - Heteroaromatic compound - Azole - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Cyclic ketone - Carboxamide group - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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