Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OC)C(CCC[NH+](C)CCC1=CC(OC)=C(OC)C=C1)(C#N)C(C)C

InChIKey

InChIKey=XQLWNAFCTODIRK-UHFFFAOYSA-O

Formula

C28H41N2O5

Mass

485.644

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenylbutylamines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylbutylamines

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Phenylbutylamine - Dimethoxybenzene - O-dimethoxybenzene - Phenethylamine - Phenylpropane - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Aralkylamine - Alkyl aryl ether - Tertiary aliphatic amine - Tertiary amine - Ether - Carbonitrile - Nitrile - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.

External Descriptors

Not available

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