CHEBI:143782 - 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate

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ChEBI Name 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate
ChEBI ID CHEBI:143782
ChEBI ASCII Name 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate
Definition A methylindole that is 2-methyl-1H-indol-4-ol in which the hydrogen of the hydroxy group is replaced by a 2-(benzoyloxy)-3-(tert-butylamino)propyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H28N2O3
Net Charge 0
Average Mass 380.488
Monoisotopic Mass 380.20999
InChI InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3
InChIKey UUOJIACWOAYWEZ-UHFFFAOYSA-N
SMILES C12=C(NC(=C1)C)C=CC=C2OCC(OC(C3=CC=CC=C3)=O)CNC(C)(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate (CHEBI:143782) is a aromatic ether (CHEBI:35618)
1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate (CHEBI:143782) is a benzoate ester (CHEBI:36054)
1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate (CHEBI:143782) is a methylindole (CHEBI:38460)
1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate (CHEBI:143782) is a secondary amino compound (CHEBI:50995)
Incoming (R)-bopindolol (CHEBI:143780) is a 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate (CHEBI:143782)
(S)-bopindolol (CHEBI:143781) is a 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate (CHEBI:143782)
IUPAC Name
1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate
Last Modified
23 May 2019
General Comment
2019-05-23 This is the material with unspecified stereochemistry. There are separate entries for the racemate bopindolol and its individual enantiomers, (R)-bopindolol and (S)-bopindolol.