Compound Identification
SMILES
COC(=O)C1=CC=C(COC(=O)NC2=CC=CN(CC(=O)NC(CC3=CC=CC=C3)C(=O)C(F)(F)F)C2=O)C=C1
InChIKey
InChIKey=CAFWBHHMAOWVGO-UHFFFAOYSA-N
Formula
C27H24F3N3O7
Mass
559.498
Taxonomic Classification
Taxonomy Tree
-
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
Amphetamines and derivatives Benzyloxycarbonyls Benzoyl derivatives Pyridinones Dihydropyridines Alpha-haloketones Carbamate esters Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Alkyl fluorides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Amphetamine or derivatives - Benzoate ester - Benzyloxycarbonyl - Benzoyl - Dihydropyridine - Pyridinone - Hydropyridine - Pyridine - Methyl ester - Carbamic acid ester - Heteroaromatic compound - Alpha-haloketone - Secondary carboxylic acid amide - Ketone - Lactam - Carboxylic acid ester - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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