Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C(S1)N1C(C(=C(O)C2=CC(F)=C(C)C=C2)C(=O)C1=O)C1=CC(OC)=C(OCC)C=C1
InChIKey
InChIKey=AEBVRDYQGNCHNB-UHFFFAOYSA-N
Formula
C28H27FN2O7S
Mass
554.59
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 Thiazolecarboxylic acids and derivatives Anisoles Methoxybenzenes Phenoxy compounds Toluenes Alkyl aryl ethers Fluorobenzenes Pyrrolidine-3-ones Aryl fluorides Pyrrolidine-2-ones Pyrroles Heteroaromatic compounds Vinylogous acids Tertiary carboxylic acid amides Lactams Cyclic ketones Carboxylic acid esters Enols Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Anisole - Thiazolecarboxylic acid or derivatives - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Toluene - Halobenzene - 3-pyrrolidone - 2-pyrrolidone - Aryl fluoride - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - Aryl halide - Heteroaromatic compound - Vinylogous acid - Azole - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Cyclic ketone - Ketone - Lactam - Carboxylic acid ester - Carboxamide group - Azacycle - Carboxylic acid derivative - Enol - Ether - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic oxide - 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