Compound Identification
SMILES
COC([C@H](OC(=O)C1=CC=C(C)C=C1)[C@@H](COC(=O)C1=CC=C(C)C=C1)OC(=O)C1=CC=C(C)C=C1)N1C=C(F)C2=C1N=CN=C2Cl
InChIKey
InChIKey=DGSDNYUHFZGMRB-DPFUHSTRSA-N
Formula
C35H31ClFN3O7
Mass
660.1
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
-
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
Pyrrolo[2,3-d]pyrimidines Benzoyl derivatives Toluenes Halopyrimidines Substituted pyrroles Aryl chlorides Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzoyl - Toluene - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Substituted pyrrole - Pyrimidine - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Organonitrogen 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