Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(CCN(C2CC2)C(=O)C2=C(C[C@@H]3CN(C[C@H]2N3)C(=O)CCCC(O)=O)C2=CC=C(CCOC3=CC(C)=CC(C)=C3C)C=C2)C=C1

InChIKey

InChIKey=RPLQARUTAAJGNN-ZLHGTEGGSA-N

Formula

C42H51N3O5

Mass

677.886

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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 - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Secondary amine - Amine - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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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