Compound Identification
SMILES
CCN1C(=O)N(CCCN2CCC(CNC(=O)C3=CC(Cl)=CC4=C3OCC4)C(O)C2)C2=CC=CC=C12
InChIKey
InChIKey=SZNNSSGIXGOJAN-UHFFFAOYSA-N
Formula
C27H33ClN4O4
Mass
513.04
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
Benzimidazoles Coumarans Alkyl aryl ethers Aryl chlorides N-substituted imidazoles Piperidines Heteroaromatic compounds Ureas Secondary carboxylic acid amides Trialkylamines 1,2-aminoalcohols Amino acids and derivatives Secondary alcohols Azacyclic compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Coumaran - Benzimidazole - Alkyl aryl ether - Aryl chloride - Aryl halide - N-substituted imidazole - Piperidine - Azole - Imidazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Urea - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Oxacycle - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Amine - Organochloride - Organonitrogen 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