compound 0053011

Properties Image MNX_ID MNXM1290779 reference envipathM:...9bab228bed46 formula C13H13F15N2O2 global charge 0 mol weight 514.229 InChIKey QPXMDSPIKMSICP-UHFFFAOYSA-N InChI InChI=1S/C13H13F15N2O2/c1-30(2)4-3-5(31)29-6(32)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h5,31H,3-4H2,1-2H3,(H,29,32) SMILES CN(C)CCC(O)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F MNX internals InChI (mnx) InChI=1/C13H13F15N2O2/c1-30(2)4-3-5(31)29-6(32)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h5,31H,3-4H2,1-2H3,(H,29,32)/t5? SMILES (mnx) [CH3:1][N:30]([CH3:2])[CH2:4][CH2:3][CH:5]([N:29]=[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([F:26])([F:27])[F:28])([F:24])[F:25])([F:22])[F:23])([F:20])[F:21])([F:18])[F:19])([F:16])[F:17])([F:14])[F:15])[OH:32])[OH:31]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0