Compound Identification
SMILES
COCCCN(CC(=O)N(CCC1=CNC2=CC=CC=C12)CC1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC=C(OC)C=C1
InChIKey
InChIKey=YYOUITOEXXKDSD-UHFFFAOYSA-N
Formula
C31H33Cl2N3O4
Mass
582.52
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
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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-alkylindoles Alpha amino acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Dichlorobenzenes Benzoyl derivatives Alkyl aryl ethers Substituted pyrroles Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Anisole - 1,2-dichlorobenzene - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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