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CHEBI:143874 - (4-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)[3-(3-hydroxy-3-methylbutyl)phenyl]methanone

ChEBI IDCHEBI:143874
ChEBI Name(4-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
Stars
ASCII Name(4-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
DefinitionAn isoquinolol that is 1,2,3,4-tetrahydroisoquinolin-4-ol in which the hydrogen of the secondary amine is substituted by a 3-(3-hydroxy-3-methylbutyl)benzoyl group.
Last Modified20 June 2019
SubmitterCeri
DownloadsMolfile
FormulaC21H25NO3
Net Charge0
Average Mass339.435
Monoisotopic Mass339.18344
SMILESCC(C)(O)CCc1cccc(C(=O)N2Cc3ccccc3C(O)C2)c1
InChIInChI=1S/C21H25NO3/c1-21(2,25)11-10-15-6-5-8-16(12-15)20(24)22-13-17-7-3-4-9-18(17)19(23)14-22/h3-9,12,19,23,25H,10-11,13-14H2,1-2H3
InChIKeyHYVUFYJZMRRTOP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(4-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)[3-(3-hydroxy-3-methylbutyl)phenyl]methanone (CHEBI:143874) is a benzamides (CHEBI:22702)
(4-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)[3-(3-hydroxy-3-methylbutyl)phenyl]methanone (CHEBI:143874) is a isoquinolinol (CHEBI:24923)
(4-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)[3-(3-hydroxy-3-methylbutyl)phenyl]methanone (CHEBI:143874) is a secondary alcohol (CHEBI:35681)
(4-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)[3-(3-hydroxy-3-methylbutyl)phenyl]methanone (CHEBI:143874) is a tertiary alcohol (CHEBI:26878)
(4-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)[3-(3-hydroxy-3-methylbutyl)phenyl]methanone (CHEBI:143874) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
(4-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
Synonyms  Source
(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(3-hydroxy-3-methylbutyl)phenyl]methanoneSUBMITTER
ERD03SUBMITTER
2-[3-(3-hydroxy-3-methylbutyl)benzoyl]-1,2,3,4-tetrahydroisoquinolin-4-olChEBI
2-[3-(3-hydroxy-3-methylbutyl)benzoyl]-3,4-dihydro-1H-isoquinolin-4-olChEBI
2-[3-(3-hydroxy-3-methylbutyl)benzoyl]-1,2,3,4-tetrahydro-4-isoquinolinolChEBI
Citations