Compound Identification
SMILES
COC1=CC(Br)=C(OC)C(C(=O)NC[C@H]2CCCN2CC2=CC=CC=C2)=C1OC
InChIKey
InChIKey=CMKFMAOMSNBJHX-MRXNPFEDSA-N
Formula
C22H27BrN2O4
Mass
463.372
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Anisoles Phenylmethylamines Phenoxy compounds Benzoyl derivatives Methoxybenzenes Benzylamines Alkyl aryl ethers Aralkylamines Bromobenzenes Aryl bromides N-alkylpyrrolidines Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzylamine - Benzoyl - Phenol ether - Phenylmethylamine - Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Aralkylamine - Bromobenzene - Halobenzene - N-alkylpyrrolidine - Aryl halide - Aryl bromide - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available