1-[(1R,2aR,8bR)-1-(hydroxymethyl)-4-[(2-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(3-pyridinyl)ethanone

Properties Image MNX_ID MNXM338775 reference chebi:127810 formula C26H25N3O4 global charge 0 mol weight 443.503 InChIKey XLJJZSBNOHLXNG-WRALFONMSA-N InChI InChI=1S/C26H25N3O4/c1-33-23-11-5-3-9-19(23)26(32)28-15-21-25(18-8-2-4-10-20(18)28)22(16-30)29(21)24(31)13-17-7-6-12-27-14-17/h2-12,14,21-22,25,30H,13,15-16H2,1H3/t21-,22-,25+/m0/s1 SMILES COC1=CC=CC=C1C(=O)N1C[C@H]2[C@@H](C3=CC=CC=C31)[C@H](CO)N2C(=O)CC1=CN=CC=C1 MNX internals InChI (mnx) InChI=1/C26H25N3O4/c1-33-23-11-5-3-9-19(23)26(32)28-15-21-25(18-8-2-4-10-20(18)28)22(16-30)29(21)24(31)13-17-7-6-12-27-14-17/h2-12,14,21-22,25,30H,13,15-16H2,1H3/t21-,22-,25+/m0/s1 SMILES (mnx) [CH3:1][O:33][C:23]1=[CH:11][CH:5]=[CH:3][CH:9]=[C:19]1[C:26]([N:28]1[CH2:15][C@H:21]2[C@@H:25]([C:18]3=[CH:8][CH:2]=[CH:4][CH:10]=[C:20]31)[C@H:22]([CH2:16][OH:30])[N:29]2[C:24]([CH2:13][C:17]1=[CH:14][N:27]=[CH:12][CH:6]=[CH:7]1)=[O:31])=[O:32]

Parent-child relations graph

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