Compound Identification
SMILES
CC1CC2=C(O1)C=CC(=C2)C(O)=C1C(N(CCCN2CCOCC2)C(=O)C1=O)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=GEZOEGAIXJRDLG-UHFFFAOYSA-N
Formula
C27H29ClN2O5
Mass
496.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
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
Coumarans Alkyl aryl ethers Chlorobenzenes Aryl chlorides Morpholines N-alkylpyrrolidines Pyrrolidine-2-ones Pyrrolidine-3-ones Vinylogous acids Tertiary carboxylic acid amides Pyrroles Amino acids and derivatives Lactams Cyclic ketones Trialkylamines Enols Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Coumaran - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Vinylogous acid - Pyrrole - Tertiary carboxylic acid amide - Amino acid or derivatives - Cyclic ketone - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ketone - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Enol - Ether - Organic oxygen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen 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