1-[(1R,2aR,8bR)-1-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-phenylethanone

Properties Image MNX_ID MNXM338777 reference chebi:127271 formula C25H28N2O4 global charge 0 mol weight 420.509 InChIKey QALVRHUHRKABFC-WPFOTENUSA-N InChI InChI=1S/C25H28N2O4/c28-16-22-24-19-8-4-5-9-20(19)26(25(30)18-10-12-31-13-11-18)15-21(24)27(22)23(29)14-17-6-2-1-3-7-17/h1-9,18,21-22,24,28H,10-16H2/t21-,22-,24+/m0/s1 SMILES O=C(C1CCOCC1)N1C[C@H]2[C@@H](C3=CC=CC=C31)[C@H](CO)N2C(=O)CC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C25H28N2O4/c28-16-22-24-19-8-4-5-9-20(19)26(25(30)18-10-12-31-13-11-18)15-21(24)27(22)23(29)14-17-6-2-1-3-7-17/h1-9,18,21-22,24,28H,10-16H2/t21-,22-,24+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:17]([CH2:14][C:23]([N:27]2[C@H:21]3[CH2:15][N:26]([C:25]([CH:18]4[CH2:10][CH2:12][O:31][CH2:13][CH2:11]4)=[O:30])[C:20]4=[CH:9][CH:5]=[CH:4][CH:8]=[C:19]4[C@H:24]3[C@@H:22]2[CH2:16][OH:28])=[O:29])[CH:7]=[CH:3]1

Parent-child relations graph

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