Compound Identification
SMILES
COC1=C(CC(=O)NC2=CC=C(CCC(O)=O)C=C2)C=CC2=C1OC(NC1=CC=CC=C1C)=N2
InChIKey
InChIKey=OEECEQRDRBRAID-UHFFFAOYSA-N
Formula
C26H25N3O5
Mass
459.502
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Anilides Benzoxazoles Aniline and substituted anilines Anisoles N-arylamides Toluenes Alkyl aryl ethers Oxazoles Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Oxacyclic compounds Secondary amines Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Benzoxazole - Anilide - Anisole - Phenol ether - N-arylamide - Aniline or substituted anilines - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Carboxamide group - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid - Secondary amine - Ether - Organic oxide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available