Structure Information
Structure

Compound Identification

SMILES

COC1=NC(NCC(C2=CC=CN2)C(F)(F)F)=NC(OC)=C1NC(=O)C1=CC=C(CC2=C(C)C=C3C(=C2)C(C)(C)OC3(C)C)O1

InChIKey

InChIKey=LFJCQWJICNWVPQ-UHFFFAOYSA-N

Formula

C32H36F3N5O5

Mass

627.665

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isocoumarans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Isocoumarans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isocoumaran - 2-heteroaryl carboxamide - Furoic acid or derivatives - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Substituted pyrrole - Benzenoid - Furan - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.

External Descriptors

Not available

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