Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(OC2CCOC3=C(C=C(OC4=NC5=CC=CC=C5C=C4)C=C3)C2O)=CC=C1

InChIKey

InChIKey=VXCWOMDRYVSFJR-UHFFFAOYSA-N

Formula

C27H23NO6

Mass

457.482

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxepine - Diaryl ether - Quinolone - Benzoate ester - Quinoline - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Pyridine - Benzenoid - Monocyclic benzene moiety - Methyl ester - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).

External Descriptors

Not available

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