Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC1(C2CCCN2C2(C#N)C3=CC=CC=C3CCC12Br)C(=O)OC

InChIKey

InChIKey=SCRRUMWCLSMWJT-UHFFFAOYSA-N

Formula

C21H23BrN2O4

Mass

447.329

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Tetralins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Tetralins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Tetralin - Indole or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolizidine - Fatty acid ester - Aralkylamine - Fatty acyl - Dicarboxylic acid or derivatives - N-alkylpyrrolidine - Pyrrolidine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Alpha-aminonitrile - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Alkyl bromide - Alkyl halide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Cyanide - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.

External Descriptors

Not available

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