Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(NC(=O)C(F)(F)F)=C1C\C=C(/C)C(CCCN1CCOCC1)CC(O)=O

InChIKey

InChIKey=VIPZKFDZHLFPTB-GIDUJCDVSA-N

Formula

C26H33F3N2O7

Mass

542.552

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isocoumarans

Subclass

Isobenzofuranones

Intermediate Tree Nodes

Not available

Direct Parent

Phthalides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalide - Methoxyaniline - Phenol ether - Medium-chain fatty acid - N-arylamide - Anisole - Amino fatty acid - Halogenated fatty acid - Branched fatty acid - Alkyl aryl ether - Heterocyclic fatty acid - Methyl-branched fatty acid - Fatty acyl - Oxazinane - Morpholine - Fatty acid - Unsaturated fatty acid - Benzenoid - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Lactone - Amino acid - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.

External Descriptors

Not available

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