Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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