| Properties | Image |
MNX_ID | MNXM339098 |
 |
reference | chebi:129675 |
formula | C24H27FN2O3 |
global charge | 0 |
mol weight | 410.489 |
InChIKey | YSMZUGMPGSMHFK-NZQKXSOJSA-N |
InChI | InChI=1S/C24H27FN2O3/c1-3-21(29)26-14-24(15-26)23(20(13-28)27(24)22(30)4-2)18-7-5-16(6-8-18)17-9-11-19(25)12-10-17/h5-12,20,23,28H,3-4,13-15H2,1-2H3/t20-,23+/m0/s1 |
SMILES | CCC(=O)N1CC2(C1)[C@H](C1=CC=C(C3=CC=C(F)C=C3)C=C1)[C@H](CO)N2C(=O)CC |
MNX internals
InChI (mnx) | InChI=1/C24H27FN2O3/c1-3-21(29)26-14-24(15-26)23(20(13-28)27(24)22(30)4-2)18-7-5-16(6-8-18)17-9-11-19(25)12-10-17/h5-12,20,23,28H,3-4,13-15H2,1-2H3/t20-,23+/m0/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:3][C:21]([N:26]1[CH2:14][C:24]2([CH2:15]1)[C@H:23]([C:18]1=[CH:8][CH:6]=[C:16]([C:17]3=[CH:10][CH:12]=[C:19]([F:25])[CH:11]=[CH:9]3)[CH:5]=[CH:7]1)[C@H:20]([CH2:13][OH:28])[N:27]2[C:22]([CH2:4][CH3:2])=[O:30])=[O:29] |
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