1-[4-[2-hydroxy-3-[2-phenylethyl-(phenylmethyl)amino]propoxy]phenyl]-1-propanone

Properties Image MNX_ID MNXM341061 reference chebi:104042 formula C27H31NO3 global charge 0 mol weight 417.549 InChIKey RQDZLDRYAKHKPP-UHFFFAOYSA-N InChI InChI=1S/C27H31NO3/c1-2-27(30)24-13-15-26(16-14-24)31-21-25(29)20-28(19-23-11-7-4-8-12-23)18-17-22-9-5-3-6-10-22/h3-16,25,29H,2,17-21H2,1H3 SMILES CCC(=O)C1=CC=C(OCC(O)CN(CCC2=CC=CC=C2)CC2=CC=CC=C2)C=C1 MNX internals InChI (mnx) InChI=1/C27H31NO3/c1-2-27(30)24-13-15-26(16-14-24)31-21-25(29)20-28(19-23-11-7-4-8-12-23)18-17-22-9-5-3-6-10-22/h3-16,25,29H,2,17-21H2,1H3/t25? SMILES (mnx) [CH3:1][CH2:2][C:27]([C:24]1=[CH:14][CH:16]=[C:26]([O:31][CH2:21][CH:25]([CH2:20][N:28]([CH2:18][CH2:17][C:22]2=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]2)[CH2:19][C:23]2=[CH:11][CH:7]=[CH:4][CH:8]=[CH:12]2)[OH:29])[CH:15]=[CH:13]1)=[O:30]

Parent-child relations graph

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