Compound Identification
SMILES
[Br-].CCC(CC)N1C=CN(CCCOC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)C2=CC=CC=C2)C1C
InChIKey
InChIKey=OLBNPULXEHHDTJ-AOTRZVLVSA-M
Formula
C25H36BrF2N2O3
Mass
530.475
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Tertiary alcohols Imidazolines Carboxylic acid esters Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organofluorides Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Alkyl fluorides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - 4-imidazoline - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Enamine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Alkyl fluoride - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic bromide salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl halide - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors
Not available