Compound Identification
SMILES
COC1=CC=C(OC(=O)[C@@H]2[C@H]3CC[C@@H](C[C@@H]2C2=CC=C(Cl)C=C2)N3C)C=C1
InChIKey
InChIKey=UHKQIPANFISESU-ZXNZYJFHSA-N
Formula
C22H24ClNO3
Mass
385.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Tropane alkaloids
- Subclass Phenyltropanes
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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 Phenol esters Piperidinecarboxylic acids Anisoles Methoxybenzenes Phenoxy compounds Chlorobenzenes Aralkylamines Alkyl aryl ethers N-alkylpyrrolidines Aryl chlorides Amino acids and derivatives Carboxylic acid esters Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltropane - Phenylpiperidine - Phenol ester - Piperidinecarboxylic acid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Amine - Organic oxygen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - 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