Structure Information
Structure

Compound Identification

SMILES

CN(C)CCCN(C)C1=NC(OC(=O)N[C@]23C[C@@H]4C[C@H](C2)C[C@@](C4)(C3)NC(=O)C2=CC(F)=CC=C2)=CC=C1

InChIKey

InChIKey=BPNUITYXDDMNAE-OERYEWLJSA-N

Formula

C29H38FN5O3

Mass

523.653

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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 heteropolycyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzamide - Benzoyl - Dialkylarylamine - Fluorobenzene - Aminopyridine - Halobenzene - Aryl fluoride - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Carbamic acid ester - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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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