Compound Identification
SMILES
COC1=CC(\C=C(/NC(=O)C2=CC=CC=C2)C(=O)N\N=C2/C(=O)N(C)C3=C(Br)C=C(Br)C=C23)=C(OC)C=C1
InChIKey
InChIKey=MXCPLYZVVNWYEK-KFVSLEHZSA-N
Formula
C27H22Br2N4O5
Mass
642.304
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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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
N-acyl-alpha amino acids and derivatives Cinnamic acids and derivatives Dimethoxybenzenes Indoles and derivatives Anisoles Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Aryl bromides Tertiary carboxylic acid amides Lactams Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - P-dimethoxybenzene - Dimethoxybenzene - Indole or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Lactam - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organobromide - 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