Compound Identification
SMILES
C[C@@H]1CCC[N+]1(C(O)=O)C(=O)N(C)CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C
InChIKey
InChIKey=BBZOEKMHELIXMB-CNLSPJIQSA-O
Formula
C23H34N3O6
Mass
448.539
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Amphetamines and derivatives Pyrrolidinecarboxamides Pyrrolidine carboxylic acids Quaternary ammonium salts Carbamate esters Tertiary amines Ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-1-carboxamide - Pyrrolidine - Quaternary ammonium salt - Carbamic acid ester - Carbamic acid derivative - Ketone - Tertiary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available