Compound Identification
SMILES
CCOC(=O)C1=C(CNC2=CC(Br)=CC=C2)NC(C(=O)OC(C)(C)C)=C1CC
InChIKey
InChIKey=XMSCMDAVTXMADS-UHFFFAOYSA-N
Formula
C21H27BrN2O4
Mass
451.361
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Amines
-
Level 5
Aralkylamines
- Level 6 Phenylalkylamines
-
Level 5
Aralkylamines
-
Subclass
Amines
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Aralkylamines
Direct Parent
Phenylalkylamines
Alternative Parents
Pyrrole carboxylic acids and derivatives Aniline and substituted anilines Secondary alkylarylamines Bromobenzenes Substituted pyrroles Aryl bromides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalkylamine - Aniline or substituted anilines - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-2-carboxylic acid or derivatives - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Secondary amine - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group.
External Descriptors
Not available