Structure Information
Structure

Compound Identification

SMILES

OC(CC(=O)CC([O-])=O)\C=C\C1=C(N(CCC2=CC=CC=C2)C(=O)C2=CC=CC=C12)C1=CC=C(F)C=C1

InChIKey

InChIKey=BERSKMKNYYJELN-CCEZHUSRSA-M

Formula

C30H25FNO5

Mass

498.531

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

1-phenethylisoquinolines

Intermediate Tree Nodes

Not available

Direct Parent

1-phenethylisoquinolines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenethylisoquinoline - 2-phenylpyridine - Isoquinolone - Medium-chain keto acid - Hydroxy fatty acid - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Fluorobenzene - Pyridinone - Beta-keto acid - Unsaturated fatty acid - Aryl fluoride - Pyridine - Monocyclic benzene moiety - Aryl halide - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Keto acid - Beta-hydroxy ketone - Heteroaromatic compound - Secondary alcohol - Lactam - Ketone - Carboxylic acid salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-phenethylisoquinolines. These are organic aromatic compounds containing a quinoline ring system substituted at the 1-position by a phenethyl group.

External Descriptors

Not available

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