Compound Identification
SMILES
COC1=CC=C(\C=C(/NC(=O)C2=CC=C(Br)C=C2)C(=O)OCC2=CC=CO2)C=C1
InChIKey
InChIKey=YPTORYKEHRTPPU-MOSHPQCFSA-N
Formula
C22H18BrNO5
Mass
456.292
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
N-acyl-alpha amino acids and derivatives Cinnamic acid esters 4-halobenzoic acids and derivatives Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Bromobenzenes Fatty acid esters Aryl bromides Enoate esters Heteroaromatic compounds Furans Secondary carboxylic acid amides Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Fatty acid ester - Bromobenzene - Aryl bromide - Aryl halide - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Furan - Enoate ester - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organobromide - Organohalogen compound - Hydrocarbon derivative - 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