1-[(1S,2aR,8bR)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone

Properties Image MNX_ID MNXM338933 reference chebi:130333 formula C24H24N2O5 global charge 0 mol weight 420.465 InChIKey JXUIDYBNAPLZHZ-YCRNBWNJSA-N InChI InChI=1S/C24H24N2O5/c27-12-19-23-16-3-1-2-4-17(16)25(11-18(23)26(19)22(28)9-14-5-6-14)24(29)15-7-8-20-21(10-15)31-13-30-20/h1-4,7-8,10,14,18-19,23,27H,5-6,9,11-13H2/t18-,19+,23+/m0/s1 SMILES O=C(C1=CC2=C(C=C1)OCO2)N1C[C@H]2[C@@H](C3=CC=CC=C31)[C@@H](CO)N2C(=O)CC1CC1 MNX internals InChI (mnx) InChI=1/C24H24N2O5/c27-12-19-23-16-3-1-2-4-17(16)25(11-18(23)26(19)22(28)9-14-5-6-14)24(29)15-7-8-20-21(10-15)31-13-30-20/h1-4,7-8,10,14,18-19,23,27H,5-6,9,11-13H2/t18-,19+,23+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:17]2[C:16](=[CH:3]1)[C@@H:23]1[C@H:18]([CH2:11][N:25]2[C:24]([C:15]2=[CH:10][C:21]3=[C:20]([CH:8]=[CH:7]2)[O:30][CH2:13][O:31]3)=[O:29])[N:26]([C:22]([CH2:9][CH:14]2[CH2:5][CH2:6]2)=[O:28])[C@@H:19]1[CH2:12][OH:27]

Parent-child relations graph

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