Compound Identification
SMILES
CC1=CC=C(CN(CC2=CC=CC=C2)C(=O)CN(CCN2CCOCC2)C(=O)C2=CC(Cl)=CC(Cl)=C2)O1
InChIKey
InChIKey=KUBOLTZDEROOPK-UHFFFAOYSA-N
Formula
C28H31Cl2N3O4
Mass
544.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
-
Level 5
Benzamides
-
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
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives Alpha amino acids and derivatives Benzoyl derivatives Dichlorobenzenes Aryl chlorides Morpholines Tertiary carboxylic acid amides Furans Heteroaromatic compounds Trialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1,3-dichlorobenzene - Benzoyl - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Oxazinane - Morpholine - Tertiary carboxylic acid amide - Furan - Heteroaromatic compound - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available