(1S)-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-2-[2-(4-morpholinyl)-1-oxoethyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

Properties Image MNX_ID MNXM169840 reference chebi:127084 formula C31H39N5O6 global charge 0 mol weight 577.682 InChIKey HFGJOCYUVOTFPL-AREMUKBSSA-N InChI InChI=1S/C31H39N5O6/c1-40-22-5-3-21(4-6-22)32-30(39)35-11-9-31(10-12-35)20-36(27(38)18-34-13-15-42-16-14-34)26(19-37)29-28(31)24-8-7-23(41-2)17-25(24)33-29/h3-8,17,26,33,37H,9-16,18-20H2,1-2H3,(H,32,39)/t26-/m1/s1 SMILES COC1=CC=C(NC(=O)N2CCC3(CC2)CN(C(=O)CN2CCOCC2)[C@H](CO)C2=C3C3=C(C=C(OC)C=C3)N2)C=C1 MNX internals InChI (mnx) InChI=1/C31H39N5O6/c1-40-22-5-3-21(4-6-22)32-30(39)35-11-9-31(10-12-35)20-36(27(38)18-34-13-15-42-16-14-34)26(19-37)29-28(31)24-8-7-23(41-2)17-25(24)33-29/h3-8,17,26,33,37H,9-16,18-20H2,1-2H3,(H,32,39)/t26-/m1/s1 SMILES (mnx) [CH3:1][O:40][C:22]1=[CH:6][CH:4]=[C:21]([NH:32][C:30]([N:35]2[CH2:11][CH2:9][C:31]3([CH2:10][CH2:12]2)[CH2:20][N:36]([C:27]([CH2:18][N:34]2[CH2:13][CH2:15][O:42][CH2:16][CH2:14]2)=[O:38])[C@H:26]([CH2:19][OH:37])[C:29]2=[C:28]3[C:24]3=[C:25]([CH:17]=[C:23]([O:41][CH3:2])[CH:7]=[CH:8]3)[NH:33]2)=[O:39])[CH:3]=[CH:5]1

Parent-child relations graph

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