Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CCNC(=O)N1[C@H]2CNC[C@@H]1C(C(=O)N(CC1=CC=CC=C1Cl)C1CC1)=C(C2)C1=CC=C(CCCOC2=C(F)C=CC(F)=C2F)C=C1

InChIKey

InChIKey=PKTXHPSRWRPBGS-LHXZUMEBSA-N

Formula

C39H42ClF3N4O5

Mass

739.23

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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 heteropolycyclic compounds

Substituents

Cinnamic acid or derivatives - Piperazine-1-carboxamide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Urea - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Amine - Organonitrogen compound - Organofluoride - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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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