Compound Identification
SMILES
CCOCCCN1C(=NC(=O)C=CC2=CC=C(Cl)C=C2)C(=CC2=C1N=C1C=CC=CN1C2=O)C(=O)OCC
InChIKey
InChIKey=PBRYCWPJUCWDNR-UHFFFAOYSA-N
Formula
C28H27ClN4O5
Mass
535.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Pyrido[2,3-d]pyrimidines Pyridinecarboxylic acids Styrenes Chlorobenzenes Pyrimidones Aryl chlorides Heteroaromatic compounds Vinylogous amides N-acylimines Lactams Carboxylic acid esters Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Pyridopyrimidine - Pyrido[2,3-d]pyrimidine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Styrene - Chlorobenzene - Halobenzene - Pyrimidone - Benzenoid - Aryl halide - Pyrimidine - Monocyclic benzene moiety - Pyridine - Aryl chloride - Vinylogous amide - Heteroaromatic compound - N-acylimine - Carboxylic acid ester - Lactam - Azacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available