Compound Identification
SMILES
COC1=CC(Br)=C(OC)C(C(=O)NCC2CCCN2CC2=CC=CC=C2)=C1O
InChIKey
InChIKey=YMAKOGZOWBWDMX-UHFFFAOYSA-N
Formula
C21H25BrN2O4
Mass
449.345
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
Hydroxybenzoic acid derivatives
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Level 6
Salicylic acid and derivatives
- Level 7 Salicylamides
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Level 6
Salicylic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
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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
Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct Parent
Salicylamides
Alternative Parents
3-halobenzoic acids and derivatives Methoxyphenols Dimethoxybenzenes Benzamides Anisoles Phenylmethylamines Phenoxy compounds P-bromophenols Benzoyl derivatives Benzylamines Alkyl aryl ethers Aralkylamines Bromobenzenes Aryl bromides N-alkylpyrrolidines Vinylogous acids Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methoxyphenol - Salicylamide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Dimethoxybenzene - P-dimethoxybenzene - Benzamide - 4-bromophenol - Phenol ether - Phenylmethylamine - Phenoxy compound - 4-halophenol - Anisole - Benzylamine - Benzoyl - Methoxybenzene - Phenol - Alkyl aryl ether - Halobenzene - Aralkylamine - Bromobenzene - Aryl bromide - N-alkylpyrrolidine - Aryl halide - Vinylogous acid - Pyrrolidine - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.
External Descriptors
Not available