Compound Identification
SMILES
COCCCN(CC(=O)N(CCC1=CNC2=CC=CC=C12)CC1=CC=C(F)C=C1)C(=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=NWKDCHSZDNBJMH-UHFFFAOYSA-N
Formula
C30H31BrFN3O3
Mass
580.498
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 3-halobenzoic acids and derivatives Alpha amino acids and derivatives Benzoyl derivatives Fluorobenzenes Bromobenzenes Substituted pyrroles Aryl bromides Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Dialkyl ethers Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Indole or derivatives - Indole - Benzoyl - Halobenzene - Fluorobenzene - Bromobenzene - Substituted pyrrole - Aryl fluoride - Aryl bromide - Aryl halide - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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