Compound Identification
SMILES
[H][C@]1(C)C[C@]([H])(C[C@]2([H])CC[C@]3(OC(=O)C4=CC=C(Br)C=C4)[C@@]4([H])CN(C)[C@@]5([H])C[C@]([H])(C)C[C@@]([H])(C[C@]3([H])N2OC(=O)C2=CC=C(Br)C=C2)[C@@]5([H])C4)[C@]2([H])CCCN(CC)[C@]2([H])C1
InChIKey
InChIKey=RJCCHLYUKYVJCO-OJSPJFGLSA-N
Formula
C44H59Br2N3O4
Mass
853.781
Taxonomic Classification
Taxonomy Tree
-
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
Quinolidines 4-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Piperidines Aryl bromides Dicarboxylic acids and derivatives Trialkylamines Amino acids and derivatives Carboxylic acid salts Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organobromides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Quinolidine - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Piperidine - Carboxylic acid ester - Carboxylic acid salt - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organobromide - Organohalogen compound - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic salt - Hydrocarbon derivative - 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