Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(O)=O.CNCCC1(OC(C)(C)C2=CC=CC=C12)C1=CC=CC=C1

InChIKey

InChIKey=UHQRXMSDIYLZDO-UHFFFAOYSA-N

Formula

C21H25NO5

Mass

371.433

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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

Not available

Substituents

Isocoumaran - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Oxacycle - Secondary amine - Ether - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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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