Compound Identification
SMILES
COC(=O)C1=CC=C(NCC2(O)CCN(CCC3=CC=C(C=C3)C#N)CC2)C=C1
InChIKey
InChIKey=SITFSDPKZUGNCO-UHFFFAOYSA-N
Formula
C23H27N3O3
Mass
393.487
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
Aminobenzoic acids and derivatives Phenethylamines Aniline and substituted anilines Phenylalkylamines Benzonitriles Benzoyl derivatives Secondary alkylarylamines Piperidines Tertiary alcohols Methyl esters 1,2-aminoalcohols Trialkylamines Amino acids and derivatives Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Phenethylamine - Benzonitrile - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Aralkylamine - Piperidine - Methyl ester - Tertiary alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Carbonitrile - Nitrile - Amine - Organic oxide - Cyanide - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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