Compound Identification
SMILES
CC(C)=C1OC2=C(C1=O)C(OCC#CCN1CCC(CC1)NC(=O)C1=CC=C(Br)C=C1)=CC=C2
InChIKey
InChIKey=MTDOTVUCLDMYLD-UHFFFAOYSA-N
Formula
C27H27BrN2O4
Mass
523.427
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Coumarans Benzofurans Benzamides Phenol ethers Aryl ketones Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Piperidines Aryl bromides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzofuran - Coumaran - Benzoyl - Phenol ether - Aryl ketone - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl halide - Aryl bromide - Piperidine - Carboxamide group - Ketone - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available