| Properties | Image |
|---|
| MNX_ID | MNXM160447 |
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| reference | chebi:68312 |
| formula | C19H20F3NO6 |
| global charge | 0 |
| mol weight | 415.364 |
| InChIKey | TYQNCTKRDNOEKZ-NKDGEMLNSA-N |
| InChI | InChI=1S/C17H19NO4.C2HF3O2/c1-20-15-11-8-18-5-4-17(3-2-10(19)6-14(17)18)12(11)7-13-16(15)22-9-21-13;3-2(4,5)1(6)7/h2-3,7,10,14,19H,4-6,8-9H2,1H3;(H,6,7)/t10-,14+,17+;/m0./s1 |
| SMILES | COC1=C2OCOC2=CC2=C1CN1CC[C@]23C=C[C@H](O)C[C@@H]13.O=C(O)C(F)(F)F |
MNX internals
| InChI (mnx) | InChI=1/C17H19NO4.C2HF3O2/c1-20-15-11-8-18-5-4-17(3-2-10(19)6-14(17)18)12(11)7-13-16(15)22-9-21-13;3-2(4,5)1(6)7/h2-3,7,10,14,19H,4-6,8-9H2,1H3;(H,6,7)/t10-,14+,17+;/m0./s1 |
 |
| SMILES (mnx) | [C:23]([C:24]([F:25])([F:26])[F:27])(=[O:28])[OH:29].[CH3:1][O:20][C:15]1=[C:11]2[CH2:8][N:18]3[CH2:5][CH2:4][C@:17]4([CH:3]=[CH:2][C@H:10]([OH:19])[CH2:6][C@H:14]43)[C:12]2=[CH:7][C:13]2=[C:16]1[O:22][CH2:9][O:21]2 |
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