| Properties | Image |
MNX_ID | MNXM107375 |
 |
reference | keggD:D08291 |
formula | C18H21ClFN3O4 |
global charge | 0 |
mol weight | 397.834 |
InChIKey | CAOOISJXWZMLBN-UHFFFAOYSA-N |
InChI | InChI=1S/C18H20FN3O4.ClH/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H |
SMILES | CC1COC2=C3C(=CC(F)=C2N2CCN(C)CC2)C(=O)C(C(=O)O)=CN31.Cl |
MNX internals
InChI (mnx) | InChI=1/C18H20FN3O4.ClH/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H/t10?; |
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SMILES (mnx) | [CH3:1][CH:10]1[CH2:9][O:26][C:17]2=[C:14]3[C:11](=[CH:7][C:13]([F:19])=[C:15]2[N:21]2[CH2:5][CH2:3][N:20]([CH3:2])[CH2:4][CH2:6]2)[C:16](=[O:23])[C:12]([C:18](=[O:24])[OH:25])=[CH:8][N:22]13.[ClH:27] |
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