L-alpha-Acetyl-N,N-dinormethadol

Properties Image MNX_ID MNXM12048 reference chebi:80648 formula C21H27NO2 global charge 0 mol weight 325.452 InChIKey FYQILXMAOLDNOY-JXFKEZNVSA-N InChI InChI=1S/C21H27NO2/c1-4-20(24-17(3)23)21(15-16(2)22,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16,20H,4,15,22H2,1-3H3/t16-,20-/m0/s1 SMILES CC[C@H](OC(C)=O)C(C[C@H](C)N)(C1=CC=CC=C1)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C21H27NO2/c1-4-20(24-17(3)23)21(15-16(2)22,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16,20H,4,15,22H2,1-3H3/t16-,20-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@@H:20]([C:21]([CH2:15][C@H:16]([CH3:2])[NH2:22])([C:18]1=[CH:11][CH:7]=[CH:5][CH:8]=[CH:12]1)[C:19]1=[CH:13][CH:9]=[CH:6][CH:10]=[CH:14]1)[O:24][C:17]([CH3:3])=[O:23]

Parent-child relations graph

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