Compound Identification
SMILES
CCOC(=O)N1CCC(CC1)NC(=O)C1=C(\C=C\C(=O)N2CCN(CC3=CC=C(F)C=C3)CC2C)C=CC(Cl)=C1
InChIKey
InChIKey=MUSSQFQEEBNWDS-YRNVUSSQSA-N
Formula
C30H36ClFN4O4
Mass
571.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives Benzamides Piperidinecarboxylic acids Styrenes Benzoyl derivatives Phenylmethylamines Benzylamines Aralkylamines Chlorobenzenes Fluorobenzenes N-alkylpiperazines Aryl chlorides Aryl fluorides Carbamate esters Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organofluorides Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Piperidinecarboxylic acid - Benzylamine - Benzoyl - Phenylmethylamine - Styrene - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperazine - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available