Compound Identification
SMILES
CCOC(=O)C1=CC(=CC(=C1)C(=O)N1CCC[C@@H]1C1=NC(C)=CS1)C1=NN=C(O1)[C@](C)(N)CC1=CC=CC=C1
InChIKey
InChIKey=MXBNEIDTFVLMMO-RNWIMVQKSA-N
Formula
C29H31N5O4S
Mass
545.66
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Amphetamines and derivatives Phenylpropanes Benzamides Benzoyl derivatives N-acylpyrrolidines 2,4-disubstituted thiazoles Aralkylamines 1,3,4-oxadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Tertiary amines Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Amphetamine or derivatives - Benzoate ester - Phenylpropane - Benzamide - N-acylpyrrolidine - Benzoyl - 2,4-disubstituted 1,3-thiazole - Aralkylamine - 1,3,4-oxadiazole - Oxadiazole - Heteroaromatic compound - Pyrrolidine - Azole - Thiazole - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organonitrogen compound - Primary aliphatic amine - 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