Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(F)C=C(C=C1)[C@H](CC(O)=O)N1CCN(CCCC2=NC3=C(CCCN3)C=C2)C1=O

InChIKey

InChIKey=LDUKSVZQRUFUNL-NRFANRHFSA-N

Formula

C25H31FN4O4

Mass

470.545

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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 - Diazanaphthalene - Naphthyridine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Imidazolidinone - Aryl halide - Imidolactam - Benzenoid - Pyridine - Monocyclic benzene moiety - Imidazolidine - Heteroaromatic compound - Urea - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Organohalogen compound - Organofluoride - 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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