(1S,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

Properties Image MNX_ID MNXM169938 reference chebi:129413 formula C24H26FN3O4 global charge 0 mol weight 439.487 InChIKey IJAJLJHCJABWGJ-BHDDXSALSA-N InChI InChI=1S/C24H26FN3O4/c25-17-6-2-3-7-18(17)26-24(31)28-20-13-27(23(30)15-9-11-32-12-10-15)19-8-4-1-5-16(19)22(20)21(28)14-29/h1-8,15,20-22,29H,9-14H2,(H,26,31)/t20-,21+,22+/m0/s1 SMILES O=C(C1CCOCC1)N1C[C@H]2[C@@H](C3=CC=CC=C31)[C@@H](CO)N2C(=O)NC1=CC=CC=C1F MNX internals InChI (mnx) InChI=1/C24H26FN3O4/c25-17-6-2-3-7-18(17)26-24(31)28-20-13-27(23(30)15-9-11-32-12-10-15)19-8-4-1-5-16(19)22(20)21(28)14-29/h1-8,15,20-22,29H,9-14H2,(H,26,31)/t20-,21+,22+/m0/s1 SMILES (mnx) [CH:1]1=[CH:4][CH:8]=[C:19]2[C:16](=[CH:5]1)[C@@H:22]1[C@H:20]([CH2:13][N:27]2[C:23]([CH:15]2[CH2:9][CH2:11][O:32][CH2:12][CH2:10]2)=[O:30])[N:28]([C:24](=[N:26][C:18]2=[CH:7][CH:3]=[CH:2][CH:6]=[C:17]2[F:25])[OH:31])[C@@H:21]1[CH2:14][OH:29]

Parent-child relations graph

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