Compound Identification
SMILES
CC(C)(C)C1CC1(CC1=CC(NC(=O)[C@@H](C2CCCC2)C2=CC=C(CN3C=C(Cl)C=CC3=O)C=C2)=CC=C1)C(O)=O
InChIKey
InChIKey=LTXSQRZKWSGMCL-NXUYQYAFSA-N
Formula
C34H39ClN2O4
Mass
575.15
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Phenylacetamides Aromatic monoterpenoids Monocyclic monoterpenoids Anilides N-arylamides Pyridinones Dihydropyridines Aryl chlorides Cyclopropanecarboxylic acids Heteroaromatic compounds Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Phenylacetamide - Anilide - N-arylamide - Dihydropyridine - Pyridinone - Aryl chloride - Aryl halide - Hydropyridine - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Pyridine - Monocyclic benzene moiety - Cyclopropanecarboxylic acid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available