Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C(=O)C1=C(F)C=CC(F)=C1C(=O)N1CCCN(CC2=CC=C(COC(C)=O)O2)CC1

InChIKey

InChIKey=UPRRMTRPZAJBPO-UHFFFAOYSA-N

Formula

C25H31F2N3O5

Mass

491.536

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoyl - 1,4-diazepane - Halobenzene - Fluorobenzene - Diazepane - Aralkylamine - Aryl fluoride - Aryl halide - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous halide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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