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3-[1-benzyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidyl]propionic acid methyl ester
SpectraBase Compound ID DSobRAdyROZ
InChI InChI=1S/C27H36N2O4/c1-31-25-15-21-11-14-29(19-23(21)16-26(25)32-2)24-12-13-28(17-20-7-5-4-6-8-20)18-22(24)9-10-27(30)33-3/h4-8,15-16,22,24H,9-14,17-19H2,1-3H3
InChIKey STCFINHHCXKXIR-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C27H36N2O4
Exact Mass 452.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InQ7qMbx9Ll
Name 3-[1-benzyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidyl]propionic acid methyl ester
Alternate Name(s) 3-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(phenylmethyl)-3-piperidinyl]propanoic acid methyl ester Methyl 3-[1-benzyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidyl]propanoate Methyl 3-[1-benzyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-yl]propanoate Methyl 3-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(phenylmethyl)piperidin-3-yl]propanoate
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Formula C27H36N2O4
InChI InChI=1S/C27H36N2O4/c1-31-25-15-21-11-14-29(19-23(21)16-26(25)32-2)24-12-13-28(17-20-7-5-4-6-8-20)18-22(24)9-10-27(30)33-3/h4-8,15-16,22,24H,9-14,17-19H2,1-3H3
InChIKey STCFINHHCXKXIR-UHFFFAOYSA-N
Molecular Weight 452.595 g/mol
SMILES c1ccc(CN2CCC(N3Cc4cc(OC)c(cc4CC3)OC)C(C2)CCC(=O)OC)cc1
SPLASH splash10-0006-6920000000-fd2095138b8592f820e3
Wiley ID 1457982