Structure Information
Structure

Compound Identification

SMILES

COC1=C(F)C=C(C=C1)C(CC(O)=O)CC1=NC(CCCC2=NC3=C(C=C2)N(C)CCN3)=NO1

InChIKey

InChIKey=NGHDDAICORKIND-UHFFFAOYSA-N

Formula

C24H28FN5O4

Mass

469.517

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpropanoic-acid - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Anisole - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl halide - Imidolactam - Benzenoid - Aryl fluoride - Pyridine - Monocyclic benzene moiety - Oxadiazole - 1,2,4-oxadiazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Amino acid - Tertiary amine - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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