Compound Identification
SMILES
OC(CN1C=NC=N1)(CN1CCC(CC1)OC(=O)\C=C\C1=CC=CC=C1F)C1=C(F)C=C(F)C=C1
InChIKey
InChIKey=MALKSLBKFRSSPP-VMPITWQZSA-N
Formula
C25H25F3N4O3
Mass
486.495
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid esters
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid esters
Alternative Parents
Styrenes Aralkylamines Fatty acid esters Fluorobenzenes Aryl fluorides Piperidines Triazoles Enoate esters Tertiary alcohols Heteroaromatic compounds 1,2-aminoalcohols Amino acids and derivatives Trialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Organofluorides Carbonyl compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid ester - Styrene - Fatty acid ester - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Fatty acyl - Heteroaromatic compound - 1,2,4-triazole - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Azole - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Aromatic alcohol - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Amine - Organohalogen compound - Alcohol - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
External Descriptors
Not available