Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C(O)=O.CN(C)CC\C=C1\C(CCOC2=C1C=CC(Cl)=C2)C1=CC=CC=C1

InChIKey

InChIKey=KHFPVKMDBHFQNX-SZUCIIPHSA-N

Formula

C25H28ClNO5

Mass

457.95

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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

Not available

Substituents

Benzoxepine - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - 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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