Structure Information
Structure

Compound Identification

SMILES

[Na+].CCC1=NC2=C(F)C=C(F)C=C2N1C1=CC=CC2=C1OC[C@H]2NC1=CC2=C(C=C1)[C@H](CC([O-])=O)CO2

InChIKey

InChIKey=KRFYTFUZYKQJHR-DXPOFMJKSA-M

Formula

C27H22F2N3NaO4

Mass

513.477

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzimidazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzimidazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumaran - Benzimidazole - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Organic metal halide - Oxacycle - Carboxylic acid derivative - Azacycle - Carboxylic acid - Ether - Organic alkali metal salt - Monocarboxylic acid or derivatives - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Amine - Organic sodium salt - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).

External Descriptors

Not available

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