Structure Information
Structure

Compound Identification

SMILES

COC1=C(COC2=CC=C(C=C2)C(=O)OCC(C)C)C=C(C=C1)[C@H]1C2=C(NN=C2OC(N)=C1C#N)C1=CC=C(C=C1)C1=CC=CC=C1

InChIKey

InChIKey=MOQKFBHDPUPLTL-MGBGTMOVSA-N

Formula

C38H34N4O5

Mass

626.713

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Biphenyl - Phenylpyrazole - Benzoate ester - Benzoic acid or derivatives - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyrazole - Azole - Heteroaromatic compound - Carboxylic acid ester - Ketene acetal or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Amine - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Cyanide - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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