Compound Identification
SMILES
COC1=CC(C=C(NC(=O)C2=C(Cl)C=CC(I)=C2)C(=O)N2CCOCC2)=CC(OC)=C1OC
InChIKey
InChIKey=LTSFDVHPIYPTAZ-UHFFFAOYSA-N
Formula
C23H24ClIN2O6
Mass
586.81
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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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 Alpha amino acid amides 3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Iodobenzenes Chlorobenzenes Alkyl aryl ethers N-acyl amines Morpholines Vinylogous halides Tertiary carboxylic acid amides Vinyl iodides Vinyl chlorides Oxacyclic compounds Iodoalkenes Dialkyl ethers Chloroalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Iodobenzene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Oxazinane - N-acyl-amine - Morpholine - Vinylogous halide - Tertiary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Iodoalkene - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl iodide - Vinyl halide - Vinyl chloride - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen 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