1-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

Properties Image Occurences in reactions MNX_ID MNXM338831 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C27H31F3N4O5 charge 0 mass 548.22465 reference chebi:122957 InChIKey CWTFRDOIHJRUHI-VUHNXCBZSA-N InChI InChI=1S/C27H31F3N4O5/c1-33-8-10-34(11-9-33)24(36)14-19-13-21-20-12-18(6-7-22(20)39-25(21)23(15-35)38-19)32-26(37)31-17-4-2-16(3-5-17)27(28,29)30/h2-7,12,19,21,23,25,35H,8-11,13-15H2,1H3,(H2,31,32,37)/t19-,21+,23+,25-/m0/s1 SMILES CN1CCN(C(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)Nc5ccc(C(F)(F)F)cc5)ccc4O[C@@H]3[C@@H](CO)O2)CC1

Parent-child relations graph

Deprecated MNXref IDs graph