Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(C2OC(CC(=O)N3CCC(O)CC3)C3=NOC(C(C)C)=C3C3=C2C=C(Cl)C=C3)=C1OC

InChIKey

InChIKey=PJCFHKYGOIMPJM-UHFFFAOYSA-N

Formula

C29H33ClN2O6

Mass

541.04

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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 - O-dimethoxybenzene - Dimethoxybenzene - N-acyl-piperidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Isoxazole - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Carboxamide group - Secondary alcohol - Oxacycle - Dialkyl ether - Azacycle - Ether - Carboxylic acid derivative - Alcohol - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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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