Compound Identification
SMILES
COC1=C(OC)C=C(CCN(C)CC[C@](OC[C@@H]2CCCC3=C2C=CC(Cl)=C3)(C(C)C)C(O)=O)C=C1
InChIKey
InChIKey=BJUKTPSASCUKMF-IADCTJSHSA-N
Formula
C29H40ClNO5
Mass
518.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Dimethoxybenzenes Phenethylamines Phenoxy compounds Anisoles Alkyl aryl ethers Amino fatty acids Aralkylamines Aryl chlorides Trialkylamines Amino acids Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
O-dimethoxybenzene - Dimethoxybenzene - Tetralin - Phenethylamine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Amino fatty acid - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Amino acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organooxygen compound - Organohalogen compound - Carbonyl group - Organochloride - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available