Compound Identification
SMILES
CCOC(=O)\C=C\C(O)=O.OC(=O)CCCN1CCC(CC1)O[C@@H](C1=CC=C(Cl)C=C1)C1=CC=CC=N1
InChIKey
InChIKey=PKQIHRXGQIHNSZ-IRBLHCNKSA-N
Formula
C27H33ClN2O7
Mass
533.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzylethers
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzylethers
Intermediate Tree Nodes
Not available
Direct Parent
Benzylethers
Alternative Parents
Amino fatty acids Fatty acid esters Chlorobenzenes Unsaturated fatty acids Pyridines and derivatives Piperidines Aryl chlorides Dicarboxylic acids and derivatives Heteroaromatic compounds Enoate esters Trialkylamines Amino acids Dialkyl ethers Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
Benzylether - Amino fatty acid - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Fatty acyl - Unsaturated fatty acid - Piperidine - Pyridine - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Azacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
External Descriptors
Not available