Compound Identification
SMILES
Cl.CCC(=O)N1C2CCC1CN(CCC(C)(C)OC(=O)C1=CC=C(Cl)C=C1)C2
InChIKey
InChIKey=CASONHWOGKHRHM-UHFFFAOYSA-N
Formula
C21H30Cl2N2O3
Mass
429.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
4-halobenzoic acids and derivatives Benzoyl derivatives N-acylpyrrolidines Azepanes Chlorobenzenes N-alkylpiperazines Aryl chlorides Tertiary carboxylic acid amides Amino acids and derivatives Carboxylic acid esters Trialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - N-acylpyrrolidine - Benzoyl - Halobenzene - Azepane - N-alkylpiperazine - Chlorobenzene - Aryl halide - Piperazine - Aryl chloride - 1,4-diazinane - Tertiary carboxylic acid amide - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available