Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.COC1=CC2=C(OC(=O)C=C2NC2CCN(CC3=CC4=C(OC(F)(F)O4)C=C3)CC2)C=C1

InChIKey

InChIKey=LYECYHZBXQPLQN-UHFFFAOYSA-N

Formula

C25H23F5N2O7

Mass

558.458

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Coumarin - Benzopyran - 1-benzopyran - Benzodioxole - Anisole - Phenol ether - Alkyl aryl ether - 4-aminopiperidine - Aralkylamine - Pyranone - Secondary aliphatic/aromatic amine - Piperidine - Pyran - Benzenoid - Vinylogous amide - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Secondary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Oxacycle - Carboxylic acid - Alkyl halide - Organohalogen compound - Carbonyl group - Organofluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl fluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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