Structure Information
Structure

Compound Identification

SMILES

O[C@@](C1CCCCC1)(C1=NN=C(C[N+]23CCC(CC2)[C@H](C3)OC2=CC3=C(OCCO3)C=C2)O1)C1=CC=CC=C1

InChIKey

InChIKey=VRCMXVXEHDYIBW-DESQJQFWSA-N

Formula

C31H38N3O5

Mass

532.66

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxanes

Subclass

Benzo-1,4-dioxanes

Intermediate Tree Nodes

Not available

Direct Parent

Benzo-1,4-dioxanes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzo-1,4-dioxane - Phenol ether - Quinuclidine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Para-dioxin - Piperidine - Benzenoid - Azole - Oxadiazole - Heteroaromatic compound - 1,3,4-oxadiazole - Quaternary ammonium salt - Tetraalkylammonium salt - Tertiary alcohol - Azacycle - Ether - Oxacycle - Alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic alcohol - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.

External Descriptors

Not available

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