Compound Identification
SMILES
COC(=O)C1=C(C)N=C(S1)N1C(C(=C(O)C2=CC(C)=C(OC)C=C2)C(=O)C1=O)C1=CC=C(C=C1)C(C)C
InChIKey
InChIKey=RCUKABCHTKFLLA-UHFFFAOYSA-N
Formula
C28H28N2O6S
Mass
520.6
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
Aromatic monoterpenoids Monocyclic monoterpenoids Phenylpropanes Cumenes 2,4,5-trisubstituted thiazoles Thiazolecarboxylic acids and derivatives Anisoles Phenoxy compounds Methoxybenzenes Toluenes Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Methyl esters Cyclic ketones Lactams Enols Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Monocyclic monoterpenoid - Monoterpenoid - P-cymene - Aromatic monoterpenoid - Cumene - Phenylpropane - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Phenol ether - Anisole - Thiazolecarboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - Toluene - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - Benzenoid - Monocyclic benzene moiety - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Methyl ester - Azole - Vinylogous acid - Cyclic ketone - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Enol - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - 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