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4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-fluoro-phenylamino)-[1,3,5]triazin-2-yloxy]-benzoic acid methyl ester
SpectraBase Compound ID 18M1Xkoq9if
InChI InChI=1S/C26H22FN5O3/c1-34-23(33)18-10-12-20(13-11-18)35-26-30-24(28-22-9-5-4-8-21(22)27)29-25(31-26)32-15-14-17-6-2-3-7-19(17)16-32/h2-13H,14-16H2,1H3,(H,28,29,30,31)
InChIKey VFBWAWBIAKRSTQ-UHFFFAOYSA-N
Mol Weight 471.49 g/mol
Molecular Formula C26H22FN5O3
Exact Mass 471.170668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaLiKF11iLp
Name 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-fluoro-phenylamino)-[1,3,5]triazin-2-yloxy]-benzoic acid methyl ester
Alternate Name(s) Methyl 4-{[4-(3,4-dihydro-2(1H)-isoquinolinyl)-6-(2-fluoroanilino)-1,3,5-triazin-2-yl]oxy}benzoate
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Formula C26H22FN5O3
InChI InChI=1S/C26H22FN5O3/c1-34-23(33)18-10-12-20(13-11-18)35-26-30-24(28-22-9-5-4-8-21(22)27)29-25(31-26)32-15-14-17-6-2-3-7-19(17)16-32/h2-13H,14-16H2,1H3,(H,28,29,30,31)
InChIKey VFBWAWBIAKRSTQ-UHFFFAOYSA-N
Molecular Weight 471.492 g/mol
SMILES N(c1nc(Oc2ccc(cc2)C(OC)=O)nc(N2CCc3c(C2)cccc3)n1)c1c(cccc1)F
SPLASH splash10-0fsi-4900100000-f2193a018e349965e441
Wiley ID 1445682