Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)C(=O)NC[C@H](N1CCOCC1)C1=CC=C(C)C=C1
InChIKey
InChIKey=YOFWMNTXRKKXJR-IBGZPJMESA-N
Formula
C21H25ClN2O3
Mass
388.89
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 Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Toluenes Alkyl aryl ethers Aralkylamines Chlorobenzenes Morpholines Aryl chlorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Phenol ether - Benzoyl - Methoxybenzene - Phenoxy compound - Anisole - Chlorobenzene - Aralkylamine - Halobenzene - Alkyl aryl ether - Toluene - Morpholine - Aryl halide - Aryl chloride - Oxazinane - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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