Compound Identification
SMILES
COC1=C(OCCN2CCC(CC2)C2=NOC3=CC=CC=C23)C=CC(=C1)C1COC(=O)C=CC(=O)O1
InChIKey
InChIKey=HYWDPRURWDLICP-UHFFFAOYSA-N
Formula
C27H28N2O7
Mass
492.528
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzisoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzisoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzisoxazoles
Alternative Parents
Phenoxy compounds Oxocins Methoxybenzenes Anisoles Alkyl aryl ethers Aralkylamines Piperidines Dicarboxylic acids and derivatives Isoxazoles Heteroaromatic compounds Enoate esters Trialkylamines Lactones Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Anisole - Phenoxy compound - Oxocin - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Enoate ester - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Azole - Isoxazole - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.
External Descriptors
Not available