Structure Information
Structure

Compound Identification

SMILES

COC1=CC(Br)=C(OC)C(C(=O)NC[C@H]2CCCN2CC2=CC=CC=C2)=C1OC

InChIKey

InChIKey=CMKFMAOMSNBJHX-MRXNPFEDSA-N

Formula

C22H27BrN2O4

Mass

463.372

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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

3-halobenzoic acid or derivatives - Benzamide - Benzylamine - Benzoyl - Phenol ether - Phenylmethylamine - Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Aralkylamine - Bromobenzene - Halobenzene - N-alkylpyrrolidine - Aryl halide - Aryl bromide - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic oxygen compound - Organic oxide - 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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