Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.CN(C)CC\C=C1\C(CCOC2=C1C=CC(Cl)=C2)C1=CC=CC=C1
InChIKey
InChIKey=KHFPVKMDBHFQNX-SZUCIIPHSA-N
Formula
C25H28ClNO5
Mass
457.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
Alkyl aryl ethers Unsaturated fatty acids Dicarboxylic acids and derivatives Benzene and substituted derivatives Aryl chlorides Trialkylamines Oxacyclic compounds Carboxylic acids Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzoxepine - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available