(3R)-3-(2-fluoro-5-methylphenyl)-7-phenyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one

Properties Image MNX_ID MNXM172003 reference chebi:121575 formula C28H26FNO global charge 0 mol weight 411.52 InChIKey JKQUHEGFTUFCCP-RHMNNOFSSA-N InChI InChI=1S/C28H26FNO/c1-19-15-16-25(29)24(17-19)27-23-14-8-13-22(21-11-6-3-7-12-21)26(23)28(31)30(27)18-20-9-4-2-5-10-20/h2-12,14-17,22-23,26-27H,13,18H2,1H3/t22?,23?,26?,27-/m1/s1 SMILES CC1=CC([C@H]2C3C=CCC(C4=CC=CC=C4)C3C(=O)N2CC2=CC=CC=C2)=C(F)C=C1 MNX internals InChI (mnx) InChI=1/C28H26FNO/c1-19-15-16-25(29)24(17-19)27-23-14-8-13-22(21-11-6-3-7-12-21)26(23)28(31)30(27)18-20-9-4-2-5-10-20/h2-12,14-17,22-23,26-27H,13,18H2,1H3/t22?,23?,26?,27-/m1/s1 SMILES (mnx) [CH3:1][C:19]1=[CH:17][C:24]([C@H:27]2[CH:23]3[CH:14]=[CH:8][CH2:13][CH:22]([C:21]4=[CH:11][CH:6]=[CH:3][CH:7]=[CH:12]4)[CH:26]3[C:28](=[O:31])[N:30]2[CH2:18][C:20]2=[CH:9][CH:4]=[CH:2][CH:5]=[CH:10]2)=[C:25]([F:29])[CH:16]=[CH:15]1

Parent-child relations graph

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