Compound Identification
SMILES
OCC[C@H]1O[C@H]([C@H](OC(=O)C2=CC(=CC=C2)C(F)(F)F)[C@@H]1COC(=O)C1=CC=CC=C1)N1C=NC2=C1N=CN=C2NC(=O)C1=CC=CC=C1
InChIKey
InChIKey=MHQHIFMLMNQKNF-VLVHCFGSSA-N
Formula
C34H28F3N5O7
Mass
675.621
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 Benzamides Purines and purine derivatives Benzoyl derivatives Pyrimidines and pyrimidine derivatives Dicarboxylic acids and derivatives Imidolactams N-substituted imidazoles Oxolanes Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Alkyl fluorides Primary alcohols Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Trifluoromethylbenzene - Imidazopyrimidine - Benzamide - Purine - Benzoyl - N-substituted imidazole - Pyrimidine - Imidolactam - Dicarboxylic acid or derivatives - Azole - Oxolane - Imidazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Primary alcohol - Alkyl halide - Alkyl fluoride - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - 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