Structure Information
Structure

Compound Identification

SMILES

C[C@@H](O)C1=CC(Cl)=C(O[C@H]2CCN(C2)C2=CC=C(C=C2)C2=C([C@@H]3CNC[C@H](C2)N3)C(=O)N(CC2=C(Cl)C(Cl)=CC=C2)C2CC2)C(Cl)=C1

InChIKey

InChIKey=JLBYIMRJMDTKRM-ABIFQMIMSA-N

Formula

C36H38Cl4N4O3

Mass

716.53

Export to:

JSON SDF CSV

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 - 1-phenylpyrrolidine - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - 1,2-dichlorobenzene - Aniline or substituted anilines - Dialkylarylamine - 1,3-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Piperazine - Aryl halide - Aryl chloride - 1,4-diazinane - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Pyrrole - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Secondary alcohol - Carboxamide group - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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

Previous Back Next