Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)NCC(=O)OCC(=O)N1N=C(CC1C1=CC=CO1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=KEFFGNCGFQKDAH-UHFFFAOYSA-N
Formula
C26H24ClN3O7
Mass
525.94
Taxonomic Classification
Taxonomy Tree
-
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Dimethoxybenzenes Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Pyrazolines Furans Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Pyrazoline - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - 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