Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C2OC(=O)C(CC2=CC=C1)C(=O)NCC1=CC=CC=C1

InChIKey

InChIKey=WZIBXROKSZGUOX-UHFFFAOYSA-N

Formula

C18H15NO5

Mass

325.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

3,4-dihydrocoumarins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

3,4-dihydrocoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.

External Descriptors

Not available

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