Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C(S1)N1[C@@H](C(=C(O)C2=CC3=C(OCCO3)C=C2)C(=O)C1=O)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=OWSDZMAZMMYTCB-JOCHJYFZSA-N
Formula
C28H26N2O9S
Mass
566.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Benzo-1,4-dioxanes Dimethoxybenzenes Thiazolecarboxylic acids and derivatives Phenoxy compounds 2,4,5-trisubstituted thiazoles Anisoles Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones Para dioxins Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Carboxylic acid esters Cyclic ketones Oxacyclic compounds Azacyclic compounds Enols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Dimethoxybenzene - O-dimethoxybenzene - Benzodioxane - Benzo-1,4-dioxane - Thiazolecarboxylic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - 3-pyrrolidone - Pyrrolidone - 2-pyrrolidone - Para-dioxin - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous acid - Pyrrole - Thiazole - Tertiary carboxylic acid amide - Cyclic ketone - Carboxamide group - Lactam - Ketone - Carboxylic acid ester - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Enol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic 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