Structure Information
Structure

Compound Identification

SMILES

COC1=C(Cl)C=C(NC(C)=O)C(\C=C\C(=O)N2CCN(CC3=CC=C(F)C=C3)C[C@H]2CO)=C1

InChIKey

InChIKey=PEJYMIUOXJMYOR-FKIZTMCRSA-N

Formula

C24H27ClFN3O4

Mass

475.95

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Coumaric acid or derivatives - M-haloacetanilide - Haloacetanilide - Acetanilide - N-acetylarylamine - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Styrene - N-arylamide - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - Aryl halide - Benzenoid - Piperazine - 1,4-diazinane - Aryl fluoride - Aryl chloride - Acetamide - 1,3-aminoalcohol - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Primary alcohol - Carbonyl group - Organic oxide - Alcohol - Hydrocarbon derivative - Amine - Organohalogen compound - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

External Descriptors

Not available

Previous Back Next