Compound Identification
SMILES
CCC1=CC=CC(CC)=C1N1C(=O)C2C(NC(CO)(C2C1=O)C(O)=O)C1=C(OC)C=CC(Br)=C1
InChIKey
InChIKey=URJKSFPSCCXRDS-UHFFFAOYSA-N
Formula
C25H27BrN2O6
Mass
531.403
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Alpha amino acids Pyrrolidine carboxylic acids Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aralkylamines Beta hydroxy acids and derivatives Bromobenzenes Pyrrolidine-2-ones N-substituted carboxylic acid imides Aryl bromides Pyrroles Dicarboximides Amino acids Lactams Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organobromides Organic oxides Primary alcohols Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - 2-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Alkyl aryl ether - Beta-hydroxy acid - Bromobenzene - Aralkylamine - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Pyrrolidone - Pyrrole - Dicarboximide - Carboxylic acid imide - Amino acid or derivatives - Lactam - Amino acid - Monocarboxylic acid or derivatives - Secondary amine - Ether - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Primary alcohol - 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