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CHEBI:125193 - (3S,4S)-3-[4-(hydroxymethyl)phenyl]-2-[(2-methoxyphenyl)methyl]-1'-(2,2,2-trifluoroethyl)spiro[3H-isoquinoline-4,3'-4H-quinoline]-1,2'-dione

ChEBI IDCHEBI:125193
ChEBI Name(3S,4S)-3-[4-(hydroxymethyl)phenyl]-2-[(2-methoxyphenyl)methyl]-1'-(2,2,2-trifluoroethyl)spiro[3H-isoquinoline-4,3'-4H-quinoline]-1,2'-dione
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DownloadsMolfile
FormulaC34H29F3N2O4
Net Charge0
Average Mass586.610
Monoisotopic Mass586.20794
SMILESCOc1ccccc1CN1C(=O)c2ccccc2[C@@]2(Cc3ccccc3N(CC(F)(F)F)C2=O)[C@@H]1c1ccc(CO)cc1
InChIInChI=1S/C34H29F3N2O4/c1-43-29-13-7-3-9-25(29)19-38-30(23-16-14-22(20-40)15-17-23)33(27-11-5-4-10-26(27)31(38)41)18-24-8-2-6-12-28(24)39(32(33)42)21-34(35,36)37/h2-17,30,40H,18-21H2,1H3/t30-,33-/m0/s1
InChIKeyGXXRYUSAEABPFY-DITALETJSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,4S)-3-[4-(hydroxymethyl)phenyl]-2-[(2-methoxyphenyl)methyl]-1'-(2,2,2-trifluoroethyl)spiro[3H-isoquinoline-4,3'-4H-quinoline]-1,2'-dione (CHEBI:125193) is a isoquinolines (CHEBI:24922)
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