Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(CNC2=CC(Br)=CC=C2)NC(C(=O)OC(C)(C)C)=C1CC

InChIKey

InChIKey=XMSCMDAVTXMADS-UHFFFAOYSA-N

Formula

C21H27BrN2O4

Mass

451.361

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic nitrogen compounds

Class

Organonitrogen compounds

Subclass

Amines

Intermediate Tree Nodes

Aralkylamines

Direct Parent

Phenylalkylamines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylalkylamine - Aniline or substituted anilines - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-2-carboxylic acid or derivatives - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Secondary amine - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group.

External Descriptors

Not available

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