(+)-4-Hydroxybunitrolol

Properties Image MNX_ID MNXM165239 reference sabiorkM:24818 formula C14H20N2O3 global charge 0 mol weight 264.325 InChIKey YKEYQHVHOYKQGR-LBPRGKRZSA-N InChI InChI=1S/C14H20N2O3/c1-14(2,3)16-8-12(18)9-19-13-5-4-11(17)6-10(13)7-15/h4-6,12,16-18H,8-9H2,1-3H3/t12-/m0/s1 SMILES CC(C)(C)NC[C@H](O)COC1=C(C#N)C=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C14H20N2O3/c1-14(2,3)16-8-12(18)9-19-13-5-4-11(17)6-10(13)7-15/h4-6,12,16-18H,8-9H2,1-3H3/t12-/m0/s1 SMILES (mnx) [CH3:1][C:14]([CH3:2])([CH3:3])[NH:16][CH2:8][C@@H:12]([CH2:9][O:19][C:13]1=[C:10]([C:7]#[N:15])[CH:6]=[C:11]([OH:17])[CH:4]=[CH:5]1)[OH:18]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0