| Properties | Image |
MNX_ID | MNXM339028 |
 |
reference | chebi:126057 |
formula | C25H30FN3O3 |
global charge | 0 |
mol weight | 439.531 |
InChIKey | BMVLNPVPSCCDDT-LADGPHEKSA-N |
InChI | InChI=1S/C25H30FN3O3/c26-21-8-6-19(7-9-21)14-29-22(16-30)24(20-4-2-1-3-5-20)25(29)17-28(18-25)23(31)15-27-10-12-32-13-11-27/h1-9,22,24,30H,10-18H2/t22-,24+/m0/s1 |
SMILES | O=C(CN1CCOCC1)N1CC2(C1)[C@H](C1=CC=CC=C1)[C@H](CO)N2CC1=CC=C(F)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C25H30FN3O3/c26-21-8-6-19(7-9-21)14-29-22(16-30)24(20-4-2-1-3-5-20)25(29)17-28(18-25)23(31)15-27-10-12-32-13-11-27/h1-9,22,24,30H,10-18H2/t22-,24+/m0/s1 |
 |
SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:20]([C@@H:24]2[C@H:22]([CH2:16][OH:30])[N:29]([CH2:14][C:19]3=[CH:7][CH:9]=[C:21]([F:26])[CH:8]=[CH:6]3)[C:25]23[CH2:17][N:28]([C:23]([CH2:15][N:27]2[CH2:10][CH2:12][O:32][CH2:13][CH2:11]2)=[O:31])[CH2:18]3)[CH:5]=[CH:3]1 |
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