Compound Identification
SMILES
CC1=C(CCOC2=CC(COCC3=CC=CC=C3)=C(CCC(O)=O)C=C2)N=C(S1)N1CCOCC1
InChIKey
InChIKey=CBJAEXZFWCTMTJ-UHFFFAOYSA-N
Formula
C27H32N2O5S
Mass
496.62
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
Benzylethers 2,4,5-trisubstituted thiazoles Phenoxy compounds Dialkylarylamines Phenol ethers Alkyl aryl ethers 2-amino-1,3-thiazoles Morpholines Heteroaromatic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Benzylether - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Dialkylarylamine - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Morpholine - 1,3-thiazol-2-amine - Oxazinane - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic 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