Compound Identification
SMILES
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C1=CC=CC=C1C)C(O)=O
InChIKey
InChIKey=CADDZCGVBKLPHC-PMOUVXMZSA-N
Formula
C17H21NO4
Mass
303.358
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
Tropane alkaloids Piperidinecarboxylic acids Benzoyl derivatives Toluenes N-alkylpyrrolidines Trialkylamines Carboxylic acid esters Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Piperidinecarboxylic acid - Tropane alkaloid - Benzoyl - Toluene - Piperidine - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Tertiary aliphatic amine - Amino acid - Tertiary amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic 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