Compound Identification
SMILES
COC1=CC=C(C=C1)C1N(C(=O)CN(C2CC2)C(=O)C2=CC=C(C=C2)C2=CC=CC=C2)C2=CC=CC=C2N2C=CC=C12
InChIKey
InChIKey=ZOJQNGUCYYLRKY-UHFFFAOYSA-N
Formula
C36H31N3O3
Mass
553.662
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
-
Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Biphenyls and derivatives Alpha amino acids and derivatives Quinoxalines Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Heteroaromatic compounds Pyrroles Tertiary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - Biphenyl - Alpha-amino acid or derivatives - Quinoxaline - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available