Compound Identification
SMILES
CCOC(=O)CCC1=CC(OC[C@H](O)CNC(C)(C)CC2CC3=CC=CC=C3C2)=C(Br)C=C1
InChIKey
InChIKey=SISMDLFTZGBXFW-HSZRJFAPSA-N
Formula
C27H36BrNO4
Mass
518.492
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Indanes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Indanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Indanes
Alternative Parents
Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Fatty acid esters Bromobenzenes Aryl bromides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Hydrocarbon derivatives Organobromides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Indane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Fatty acid ester - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Secondary aliphatic amine - Organobromide - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
External Descriptors
Not available