Compound Identification
SMILES
Cl.OC(=O)CC(CC1=NC(CCCC2=NC3=C(CCCN3)C=C2)=NO1)C1=CC(OCC2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=VQYCFLUSNXCEGT-UHFFFAOYSA-N
Formula
C30H33ClN4O4
Mass
549.07
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
Naphthyridines Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyridines and derivatives Imidolactams 1,2,4-oxadiazoles Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Amines Hydrochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Diazanaphthalene - Naphthyridine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Hydrochloride - Carbonyl group - 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