Compound Identification
SMILES
CC1=CC(Cl)=C(OCCOC2=CC=C(CC(CN)C(=O)N3CCCC4=C3C(F)=CC=C4)C=C2)C(Cl)=C1
InChIKey
InChIKey=UPUNXMZMCXAZOT-UHFFFAOYSA-N
Formula
C28H29Cl2FN2O3
Mass
531.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Hydroquinolines Phenoxy compounds Phenol ethers Dichlorobenzenes Toluenes Alkyl aryl ethers Aralkylamines Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Tertiary amines Azacyclic compounds Carbonyl compounds Organofluorides Monoalkylamines Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Tetrahydroquinoline - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Halobenzene - Toluene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Tertiary amine - Carboxamide group - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available