Compound Identification
SMILES
CC[C@@](CCC#N)(NC(=O)OCC1=CC=CC=C1)C(O)=O.CC1=C(C=CC(=C1)C(=O)N[C@@H](CCC1=NNN=N1)C1=NC2=C(N1)C=C(Cl)C=C2)N1CCOCC1=O
InChIKey
InChIKey=BVIITZJTVHCOFM-YCCSFNTCSA-N
Formula
C38H41ClN10O7
Mass
785.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Phenylmorpholines Alpha amino acids and derivatives Benzyloxycarbonyls m-Toluamides Benzamides Benzimidazoles Benzoyl derivatives Aryl chlorides Tetrazoles Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Imidazoles Tertiary amines Secondary carboxylic acid amides Lactams Dialkyl ethers Carboxylic acids Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Nitriles Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Not available
Substituents
Acylaminobenzoic acid or derivatives - Phenylmorpholine - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Benzamide - Benzimidazole - M-toluamide - Toluamide - Benzoyl - Toluene - Oxazinane - Aryl chloride - Aryl halide - Morpholine - Tetrazole - Tertiary carboxylic acid amide - Azole - Carbamic acid ester - Heteroaromatic compound - Imidazole - Carboxamide group - Amino acid or derivatives - Lactam - Tertiary amine - Secondary carboxylic acid amide - Carbonitrile - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Nitrile - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available