(3R,3aR,7aR)-3-[4-(4-acetylphenyl)-2-fluorophenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one

Properties Image MNX_ID MNXM172034 reference chebi:121555 formula C30H28FNO2 global charge 0 mol weight 453.557 InChIKey CBSFIPZNVMHQDA-BTIIJPOSSA-N InChI InChI=1S/C30H28FNO2/c1-20(33)22-11-13-23(14-12-22)24-15-16-25(27(31)18-24)28-26-10-6-7-17-30(26,2)29(34)32(28)19-21-8-4-3-5-9-21/h3-6,8-16,18,26,28H,7,17,19H2,1-2H3/t26-,28-,30+/m0/s1 SMILES CC(=O)C1=CC=C(C2=CC(F)=C([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3CC3=CC=CC=C3)C=C2)C=C1 MNX internals InChI (mnx) InChI=1/C30H28FNO2/c1-20(33)22-11-13-23(14-12-22)24-15-16-25(27(31)18-24)28-26-10-6-7-17-30(26,2)29(34)32(28)19-21-8-4-3-5-9-21/h3-6,8-16,18,26,28H,7,17,19H2,1-2H3/t26-,28-,30+/m0/s1 SMILES (mnx) [CH3:1][C:20]([C:22]1=[CH:12][CH:14]=[C:23]([C:24]2=[CH:18][C:27]([F:31])=[C:25]([C@H:28]3[C@@H:26]4[CH:10]=[CH:6][CH2:7][CH2:17][C@@:30]4([CH3:2])[C:29](=[O:34])[N:32]3[CH2:19][C:21]3=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]3)[CH:16]=[CH:15]2)[CH:13]=[CH:11]1)=[O:33]

Parent-child relations graph

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