Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)\C=C\C(O)=O.OC(=O)CCCN1CCC(CC1)O[C@@H](C1=CC=C(Cl)C=C1)C1=CC=CC=N1

InChIKey

InChIKey=PKQIHRXGQIHNSZ-IRBLHCNKSA-N

Formula

C27H33ClN2O7

Mass

533.02

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzylethers

Intermediate Tree Nodes

Not available

Direct Parent

Benzylethers

Alternative Parents

Molecular Framework

Not available

Substituents

Benzylether - Amino fatty acid - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Fatty acyl - Unsaturated fatty acid - Piperidine - Pyridine - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Azacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).

External Descriptors

Not available

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