Compound Identification
SMILES
OC1CN(CCCC(=O)N2CCCC2)CCC1CNC(=O)C1=CC(Cl)=CC2=C1OCC2
InChIKey
InChIKey=CPTCPTKCKOLVGQ-UHFFFAOYSA-N
Formula
C23H32ClN3O4
Mass
449.98
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 N-acylpyrrolidines Alkyl aryl ethers Aryl chlorides Piperidines Tertiary carboxylic acid amides Secondary carboxylic acid amides 1,2-aminoalcohols Amino acids and derivatives Trialkylamines Secondary alcohols Oxacyclic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Coumaran - N-acylpyrrolidine - Alkyl aryl ether - Aryl halide - Aryl chloride - Piperidine - Pyrrolidine - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Ether - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - 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