Compound Identification
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CNC[C@@H](O)[C@H](CC1=CC=C(OCCC(O)=O)C=C1)NC(=O)OC(C)(C)C
InChIKey
InChIKey=PJSBMULNVPRXJP-YVHASNINSA-N
Formula
C33H49N3O9
Mass
631.767
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass 3-phenoxypropionic acids
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
3-phenoxypropionic acids
Intermediate Tree Nodes
Not available
Direct Parent
3-phenoxypropionic acids
Alternative Parents
Phenylbutylamines Amphetamines and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Carbamate esters 1,2-aminoalcohols Secondary alcohols Amino acids Dialkylamines Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenoxypropionic acid - Phenylbutylamine - Amphetamine or derivatives - Phenol ether - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Carbamic acid ester - 1,2-aminoalcohol - Amino acid or derivatives - Secondary alcohol - Amino acid - Secondary aliphatic amine - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Secondary amine - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-phenoxypropionic acids. These are aromatic compounds containing a 3-phenoxypropionic acid.
External Descriptors
Not available