Compound Identification
SMILES
CN1C[C@@H]([C@@H]([C@H](OC(=O)c2ccccc2)c2ccccc2)C1=O)c1cncn1C
InChIKey
InChIKey=IBZKJMVCDSSXRB-HLAWJBBLSA-N
Formula
C23H23N3O3
Mass
389.455
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzyloxycarbonyls Benzoyl derivatives Pyrrolidine-2-ones N-substituted imidazoles N-alkylpyrrolidines Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzyloxycarbonyl - Benzoyl - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available