Compound Identification
SMILES
COCCCN1CCC(CNC(=O)C2=CC(Cl)=CC3=C2OCC3)C(O)C1
InChIKey
InChIKey=QGOUKJPEKRFBHC-UHFFFAOYSA-N
Formula
C19H27ClN2O4
Mass
382.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Coumarans Alkyl aryl ethers Piperidines Aryl chlorides Trialkylamines Secondary carboxylic acid amides Secondary alcohols Amino acids and derivatives 1,2-aminoalcohols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Coumaran - Alkyl aryl ether - Aryl chloride - Aryl halide - Piperidine - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available