Compound Identification
SMILES
CCCCN(CC1=CC(CC)=C(OCCN2C(=O)CCC2=O)C=C1)C(CC(O)=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=BDLBVAVQJIHSTG-UHFFFAOYSA-N
Formula
C28H35ClN2O5
Mass
515.05
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 Alkyl aryl ethers Aralkylamines Chlorobenzenes 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 - Phenylmethylamine - Phenol ether - Benzylamine - Alkyl aryl ether - Halobenzene - Aralkylamine - Chlorobenzene - Benzenoid - N-alkylpyrrolidine - Carboxylic acid imide, n-substituted - Aryl halide - Aryl chloride - Pyrrolidone - 2-pyrrolidone - Monocyclic benzene moiety - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Amino acid or derivatives - Tertiary amine - Amino acid - Tertiary aliphatic amine - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - 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