Compound Identification
SMILES
CC1=CC(C(=O)COC(=O)C2=C(O)C=CC(Cl)=C2)=C(C)N1CC1CCCO1
InChIKey
InChIKey=MNYHZVIRAJXGQZ-UHFFFAOYSA-N
Formula
C20H22ClNO5
Mass
391.85
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
Benzoic acid esters
- Level 6 o-Hydroxybenzoic acid esters
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Level 5
Benzoic acid esters
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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
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
3-halobenzoic acids and derivatives Salicylic acid and derivatives P-chlorophenols Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Substituted pyrroles Aryl chlorides Vinylogous amides Vinylogous acids Oxolanes Heteroaromatic compounds Carboxylic acid esters Dialkyl ethers Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Aldehydes Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - 4-halophenol - 4-chlorophenol - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl halide - Substituted pyrrole - Oxolane - Vinylogous acid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Ketone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aldehyde - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
External Descriptors
Not available