Structure Information
Structure

Compound Identification

SMILES

[I-].C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=[N+](COC(=O)N(C)CCOC(C)=O)C=N1)C1=C(F)C=CC(F)=C1

InChIKey

InChIKey=NVUDGJXRYVSSBE-PQMJXKCRSA-M

Formula

C29H29F2IN6O5S

Mass

738.55

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenylpropanes

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylpropane - Benzonitrile - 2,4-disubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Azole - Tertiary alcohol - Thiazole - 1,2,4-triazole - Carbamic acid ester - Heteroaromatic compound - Carbonic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Organic zwitterion - Organic salt - Organic iodide salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.

External Descriptors

Not available

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