Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)NC[C@@H]1[C@@H](OCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)C(=O)N1CC=C
InChIKey
InChIKey=UBEPTJAYVHWUNW-BAQBVXSRSA-N
Formula
C37H37ClN2O5
Mass
625.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzylethers Benzoyl derivatives Piperidinones Chlorobenzenes Delta lactams Aryl chlorides Tertiary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzylether - Benzoyl - Chlorobenzene - Delta-lactam - Piperidinone - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Lactam - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available