Compound Identification
SMILES
CCCN(CCN1C[C@@H]([C@H]([C@@H]1C1=CC=C(OC)C=C1)C(O)=O)C1=CC2=C(OCO2)C=C1)S(=O)(=O)CCOC
InChIKey
InChIKey=QBRVNHPTUVFDIT-RCXJIHSJSA-N
Formula
C27H36N2O8S
Mass
548.65
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
Benzodioxoles Pyrrolidine carboxylic acids Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines Organosulfonamides N-alkylpyrrolidines Organic sulfonamides Pyrroles Aminosulfonyl compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Acetals Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - N-alkylpyrrolidine - Benzenoid - Pyrrole - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Amino acid - Tertiary amine - Amino acid or derivatives - Ether - Dialkyl ether - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Carboxylic acid - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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