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(OC)=C(OC)C=C1
InChIKey
InChIKey=QBQDEOCNGKKBKU-LSDHQDQOSA-N
Formula
C27H26N2O8S
Mass
538.57
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
Dimethoxybenzenes 2,4,5-trisubstituted thiazoles Thiazolecarboxylic acids and derivatives Anisoles Phenoxy compounds Toluenes Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones Methyl esters Heteroaromatic compounds Tertiary carboxylic acid amides Vinylogous acids Pyrroles Lactams Cyclic ketones Enols Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - O-dimethoxybenzene - Dimethoxybenzene - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Anisole - Phenol ether - Thiazolecarboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Azole - Tertiary carboxylic acid amide - Methyl ester - Vinylogous acid - Thiazole - Pyrrole - Heteroaromatic compound - Cyclic ketone - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Azacycle - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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