Compound Identification
SMILES
COC(=O)C1=C(C)N=C(S1)N1C(C(=C(O)C2=CC(OC)=CC=C2)C(=O)C1=O)C1=CC=C(C=C1)C(C)C
InChIKey
InChIKey=UXDRUKKBTZXSOW-UHFFFAOYSA-N
Formula
C27H26N2O6S
Mass
506.57
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 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 - Monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Methoxybenzene - Phenoxy compound - Phenol ether - Thiazolecarboxylic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Anisole - Alkyl aryl ether - Pyrrolidone - Benzenoid - 3-pyrrolidone - 2-pyrrolidone - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Vinylogous acid - Methyl ester - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Lactam - Ketone - Cyclic ketone - Carboxylic acid ester - Carboxamide group - Ether - Enol - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen 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