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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylpropanes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
Benzonitriles 2,4-disubstituted thiazoles Fluorobenzenes Aryl fluorides Triazoles Tertiary alcohols Carbamate esters Heteroaromatic compounds Organic carbonic acids and derivatives Carboxylic acid esters Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic iodide salts Organic oxides Organic zwitterions Organofluorides Aromatic alcohols Organopnictogen compounds
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