Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CN(C(CC2=CC=CC=C2)C(O)=O)C(=O)C2=CC3=CC=CC=C3N12
InChIKey
InChIKey=QCDLORBKUDCIAP-UHFFFAOYSA-N
Formula
C27H22N2O4
Mass
438.483
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
Alpha amino acids and derivatives Amphetamines and derivatives Pyrrolopyrazines Indoles Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrazines Pyrroles Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Indole or derivatives - Pyrrolopyrazine - Indole - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Pyrazine - Benzenoid - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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