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

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ChEBI Name (4-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)[3-(3-hydroxy-3-methylbutyl)phenyl]methanone ChEBI ID CHEBI:143874 ChEBI ASCII Name (4-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)[3-(3-hydroxy-3-methylbutyl)phenyl]methanone Definition An 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Ceri Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H25NO3 Net Charge 0 Average Mass 339.435 Monoisotopic Mass 339.18344 InChI InChI=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 InChIKey HYVUFYJZMRRTOP-UHFFFAOYSA-N SMILES OC1CN(CC=2C1=CC=CC2)C(=O)C=3C=C(CCC(C)(C)O)C=CC3 ChEBI Ontology Outgoing (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 Sources (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone SUBMITTER 2-[3-(3-hydroxy-3-methylbutyl)benzoyl]-1,2,3,4-tetrahydro-4-isoquinolinol ChEBI 2-[3-(3-hydroxy-3-methylbutyl)benzoyl]-1,2,3,4-tetrahydroisoquinolin-4-ol ChEBI 2-[3-(3-hydroxy-3-methylbutyl)benzoyl]-3,4-dihydro-1H-isoquinolin-4-ol ChEBI ERD03 SUBMITTER Citation Type Source 30141626 PubMed citation SUBMITTER Last Modified 20 June 2019