Compound Identification
SMILES
CC(C)O.CCCCC1=NC2=C(C=CN=C2)N1C1=CC=C(C=C1)C1=C(C(C2=CC=CC=C2Cl)C(C(=O)NC2=CC=CC=N2)=C(C)N1)C(=O)OCC
InChIKey
InChIKey=GKGQLRTYXZSHAM-UHFFFAOYSA-N
Formula
C40H43ClN6O4
Mass
707.27
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
Phenylimidazoles Dihydropyridinecarboxylic acids and derivatives Imidazo-[4,5-c]pyridines N-arylamides Chlorobenzenes N-substituted imidazoles Imidolactams Aryl chlorides Vinylogous amides Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Enamines Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Cinnamic acid ester - 1-phenylimidazole - Imidazo-[4,5-c]pyridine - Imidazopyridine - Dihydropyridinecarboxylic acid derivative - N-arylamide - Dihydropyridine - Halobenzene - Chlorobenzene - Hydropyridine - Imidolactam - Benzenoid - Aryl chloride - N-substituted imidazole - Pyridine - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Enamine - Azacycle - Secondary aliphatic amine - Alcohol - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic 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