Compound Identification
SMILES
COC1=CC(=CC(OC)=C1)C(=O)N(CC=C)CC(=O)N1CCCCC1C1=NC(=NO1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=PKFGYAWJVVDXDO-UHFFFAOYSA-N
Formula
C27H29BrN4O5
Mass
569.456
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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
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Subclass
Benzoic acids and derivatives
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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
Phenyloxadiazoles Alpha amino acids and derivatives Dimethoxybenzenes N-acylpiperidines Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Organobromides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Phenyl-1,2,4-oxadiazole - Alpha-amino acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - N-acyl-piperidine - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Piperidine - Aryl bromide - Aryl halide - Tertiary carboxylic acid amide - Oxadiazole - Azole - 1,2,4-oxadiazole - Heteroaromatic compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Organohalogen compound - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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