Compound Identification
SMILES
COC(=O)C1=CC=C(CC(C)NCC(O)C2=NC(Cl)=CC=C2)C=C1
InChIKey
InChIKey=BNZGHLYMHJJKSF-UHFFFAOYSA-N
Formula
C18H21ClN2O3
Mass
348.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Amphetamines and derivatives Phenylpropanes Benzoyl derivatives 2-halopyridines Aralkylamines Aryl chlorides Heteroaromatic compounds Methyl esters 1,2-aminoalcohols Secondary alcohols Amino acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organochlorides Aromatic alcohols Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Amphetamine or derivatives - Benzoate ester - Phenylpropane - Benzoyl - 2-halopyridine - Aralkylamine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Secondary alcohol - Secondary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Organooxygen compound - Amine - Organohalogen compound - Organochloride - Organic oxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organic oxide - Aromatic alcohol - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available