Structure Information
Structure

Compound Identification

SMILES

Cl.CC1=CC(\C=C\C(=O)N2CCN(CC3=CC=C(COC4=CC=C(Cl)C=C4)C=C3)CC2)=CC(C)=C1OC1=NC=C(OCC2=CC=C(C=C2)C#N)C=C1

InChIKey

InChIKey=DRKZXWDCSRVALS-NWBUNABESA-N

Formula

C42H40Cl2N4O4

Mass

735.71

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid or derivatives - Diaryl ether - Phenoxy compound - M-xylene - Xylene - Phenol ether - Benzonitrile - Benzylamine - Phenylmethylamine - Styrene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperazine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organooxygen compound - Organic oxygen compound - Amine - Carbonyl group - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Cyanide - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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