Compound Identification
SMILES
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1C1=CC=C(C=C1)C#CC)N2C(=O)OCC(Cl)(Cl)Cl
InChIKey
InChIKey=VIAOJNZTRONXFH-MLHJIOFPSA-N
Formula
C21H22Cl3NO4
Mass
458.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Tropane alkaloids
- Subclass Phenyltropanes
-
Class
Tropane alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Tropane alkaloids
Subclass
Phenyltropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltropanes
Alternative Parents
Phenylpiperidines Piperidinecarboxylic acids Pyrrolidine carboxylic acids Benzene and substituted derivatives Methyl esters Carbamate esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltropane - Phenylpiperidine - Piperidinecarboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Piperidine - Benzenoid - Carbamic acid ester - Pyrrolidine - Methyl ester - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Alkyl chloride - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltropanes. These are compounds containing a phenyl group linked to a tropane moiety. Tropane is an organonitrogenous [3.2.1] bicyclic organic compound.
External Descriptors
Not available