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(E)-2-[2-[5-fluoro-3-(methoxymethyl)-1H-indol-2-yl]ethyl-isopropyl-amino]but-2-enedioic acid dimethyl ester
SpectraBase Compound ID EuoJZhJhkXG
InChI InChI=1S/C21H27FN2O5/c1-13(2)24(19(21(26)29-5)11-20(25)28-4)9-8-18-16(12-27-3)15-10-14(22)6-7-17(15)23-18/h6-7,10-11,13,23H,8-9,12H2,1-5H3/b19-11+
InChIKey YWJZGUOKSFXWMH-YBFXNURJSA-N
Mol Weight 406.45 g/mol
Molecular Formula C21H27FN2O5
Exact Mass 406.1904 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXHoSd1Mcsh
Name (E)-2-[2-[5-fluoro-3-(methoxymethyl)-1H-indol-2-yl]ethyl-isopropyl-amino]but-2-enedioic acid dimethyl ester
Alternate Name(s) (E)-2-[2-[5-fluoro-3-(methoxymethyl)-1H-indol-2-yl]ethyl-propan-2-ylamino]-2-butenedioic acid dimethyl ester Dimethyl (E)-2-[2-[5-fluoranyl-3-(methoxymethyl)-1H-indol-2-yl]ethyl-propan-2-yl-amino]but-2-enedioate Dimethyl (E)-2-[2-[5-fluoro-3-(methoxymethyl)-1H-indol-2-yl]ethyl-isopropyl-amino]but-2-enedioate Dimethyl (E)-2-[2-[5-fluoro-3-(methoxymethyl)-1H-indol-2-yl]ethyl-propan-2-ylamino]but-2-enedioate
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Formula C21H27FN2O5
InChI InChI=1S/C21H27FN2O5/c1-13(2)24(19(21(26)29-5)11-20(25)28-4)9-8-18-16(12-27-3)15-10-14(22)6-7-17(15)23-18/h6-7,10-11,13,23H,8-9,12H2,1-5H3/b19-11+
InChIKey YWJZGUOKSFXWMH-YBFXNURJSA-N
Molecular Weight 406.454 g/mol
SMILES [nH]1c2ccc(cc2c(c1CCN(\C(=C\C(=O)OC)C(=O)OC)C(C)C)COC)F
SPLASH splash10-03di-1971000000-4bce172be0a0ce361c9c
Source of Spectrum K1-2004-3132-10
Wiley ID 1561189