Compound Identification
SMILES
COC(=O)C1=CC=C(CN(C2CCCN(C2)C(=O)CC2=CC(F)=CC(F)=C2)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=QZQJSYKKFWDKGT-UHFFFAOYSA-N
Formula
C29H27F5N2O5S
Mass
610.6
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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
Trifluoromethylbenzenes Phenylacetamides Benzenesulfonamides N-acylpiperidines Benzenesulfonyl compounds Benzoyl derivatives Fluorobenzenes Organosulfonamides Aryl fluorides Tertiary carboxylic acid amides Aminosulfonyl compounds Methyl esters Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylacetamide - Benzoate ester - Benzenesulfonamide - Trifluoromethylbenzene - Benzenesulfonyl group - N-acyl-piperidine - Benzoyl - Halobenzene - Fluorobenzene - Organosulfonic acid amide - Piperidine - Aryl halide - Aryl fluoride - Methyl ester - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organooxygen compound - Organosulfur compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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