Compound Identification
SMILES
COC1=C(C=C(Br)C=C1)C1NC(CC2=CC=C(O)C=C2)(C2C1C(=O)NC2=O)C(O)=O
InChIKey
InChIKey=JBLDSDWGAVUMPF-UHFFFAOYSA-N
Formula
C21H19BrN2O6
Mass
475.295
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
Phenylpropanoic acids Alpha amino acids Amphetamines and derivatives Pyrrolidine carboxylic acids Phenoxy compounds Anisoles Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Bromobenzenes Pyrrolidine-2-ones Aryl bromides Pyrroles N-unsubstituted carboxylic acid imides Dicarboximides Lactams Amino acids Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Organic oxides Hydrocarbon derivatives Organobromides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - 2-phenylpyrrolidine - Amphetamine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Bromobenzene - Halobenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - 2-pyrrolidone - Pyrrolidone - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Pyrrole - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Carboxylic acid imide - Lactam - Amino acid - Amino acid or derivatives - Ether - Azacycle - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - 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