Compound Identification
SMILES
CCCCC1=NC(Cl)=C(N1)C(CC1=CC=CC=C1OC)C(O)=O
InChIKey
InChIKey=FDTFZMUMMWBTMW-UHFFFAOYSA-N
Formula
C17H21ClN2O3
Mass
336.82
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
Phenoxy compounds 2,4,5-trisubstituted imidazoles Anisoles Methoxybenzenes Imidazolyl carboxylic acids and derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - 2,4,5-trisubstituted-imidazole - Phenoxy compound - Anisole - Imidazolyl carboxylic acid derivative - Methoxybenzene - Trisubstituted imidazole - Phenol ether - Alkyl aryl ether - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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