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CHEBI:88206 - methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate

ChEBI IDCHEBI:88206
ChEBI Namemethyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate
Stars
DefinitionA methyl ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenolic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group.
Last Modified25 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H25NO4
Net Charge0
Average Mass295.379
Monoisotopic Mass295.17836
SMILESCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
InChIKeyAQNDDEOPVVGCPG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate (CHEBI:88206) has functional parent 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid (CHEBI:143310)
methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate (CHEBI:88206) is a aromatic ether (CHEBI:35618)
methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate (CHEBI:88206) is a ethanolamines (CHEBI:23981)
methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate (CHEBI:88206) is a methyl ester (CHEBI:25248)
methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate (CHEBI:88206) is a secondary alcohol (CHEBI:35681)
methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate (CHEBI:88206) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
(R)-esmolol (CHEBI:60074) is a methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate (CHEBI:88206)
(S)-esmolol (CHEBI:60075) is a methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate (CHEBI:88206)
IUPAC Name 
methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate
Manual XrefsDatabases
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