Compound Identification
SMILES
CCC1=C(OCCN2C(=O)CCC2=O)C=CC(CN(CC(C)C)C(CC(O)=O)C2=CC(Cl)=C(Cl)C=C2)=C1
InChIKey
InChIKey=OGIBJXAXIVNBKC-UHFFFAOYSA-N
Formula
C28H34Cl2N2O5
Mass
549.49
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
Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Dichlorobenzenes Alkyl aryl ethers Aralkylamines Pyrrolidine-2-ones Aryl chlorides N-substituted carboxylic acid imides N-alkylpyrrolidines Dicarboximides Trialkylamines Amino acids Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Phenoxy compound - Phenol ether - Phenylmethylamine - Benzylamine - 1,2-dichlorobenzene - Alkyl aryl ether - Halobenzene - Aralkylamine - Chlorobenzene - Carboxylic acid imide, n-substituted - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Benzenoid - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Lactam - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organochloride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen 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