1-[(3aR,4R,9bR)-8-(1-cyclohexenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone

Properties Image MNX_ID MNXM339841 reference chebi:126251 formula C26H30N2O2 global charge 0 mol weight 402.538 InChIKey UEVFQSKQKQDEAK-LJGDZFJRSA-N InChI InChI=1S/C26H30N2O2/c29-17-24-21-13-14-28(25(30)15-18-7-3-1-4-8-18)26(21)22-16-20(11-12-23(22)27-24)19-9-5-2-6-10-19/h1,3-4,7-9,11-12,16,21,24,26-27,29H,2,5-6,10,13-15,17H2/t21-,24+,26-/m1/s1 SMILES O=C(CC1=CC=CC=C1)N1CC[C@@H]2[C@H](CO)NC3=C(C=C(C4=CCCCC4)C=C3)[C@@H]21 MNX internals InChI (mnx) InChI=1/C26H30N2O2/c29-17-24-21-13-14-28(25(30)15-18-7-3-1-4-8-18)26(21)22-16-20(11-12-23(22)27-24)19-9-5-2-6-10-19/h1,3-4,7-9,11-12,16,21,24,26-27,29H,2,5-6,10,13-15,17H2/t21-,24+,26-/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][CH:7]=[C:18]([CH2:15][C:25]([N:28]2[CH2:14][CH2:13][C@@H:21]3[C@H:24]([CH2:17][OH:29])[NH:27][C:23]4=[C:22]([CH:16]=[C:20]([C:19]5=[CH:9][CH2:5][CH2:2][CH2:6][CH2:10]5)[CH:11]=[CH:12]4)[C@@H:26]32)=[O:30])[CH:8]=[CH:4]1

Parent-child relations graph

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