Compound Identification
SMILES
[Na+].CCOC(CC1=CC=C(OCCN2CCOC3=CC=CC=C23)C=C1)C([O-])=O
InChIKey
InChIKey=LBTBQOZQOOVWPW-UHFFFAOYSA-M
Formula
C21H24NNaO5
Mass
393.415
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
Benzomorpholines Benzoxazines Phenoxy compounds Phenol ethers Dialkylarylamines Alkyl aryl ethers Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carboxylic acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic sodium salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Benzomorpholine - Benzoxazine - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - Monocyclic benzene moiety - Oxazinane - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Tertiary amine - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Monocarboxylic acid or derivatives - Ether - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic sodium salt - 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