| Properties | Image |
|---|
| MNX_ID | MNXM1180631 |
 |
| reference | envipathM:...95169649bb98 |
| formula | C20H27ClN2O6 |
| global charge | 0 |
| mol weight | 426.897 |
| InChIKey | SEYMJPGUTMHXMN-UHFFFAOYSA-N |
| InChI | InChI=1S/C20H27ClN2O6/c1-13-12-14(21)4-5-15(13)16-17(29-19(26)28-11-10-24)20(22(2)18(16)25)6-8-23(27-3)9-7-20/h4-5,12,16-17,24H,6-11H2,1-3H3 |
| SMILES | CON1CCC2(CC1)C(OC(=O)OCCO)C(C1=CC=C(Cl)C=C1C)C(=O)N2C |
MNX internals
| InChI (mnx) | InChI=1/C20H27ClN2O6/c1-13-12-14(21)4-5-15(13)16-17(29-19(26)28-11-10-24)20(22(2)18(16)25)6-8-23(27-3)9-7-20/h4-5,12,16-17,24H,6-11H2,1-3H3/t16?,17? |
 |
| SMILES (mnx) | [CH3:1][C:13]1=[C:15]([CH:16]2[CH:17]([O:29][C:19](=[O:26])[O:28][CH2:11][CH2:10][OH:24])[C:20]3([CH2:6][CH2:8][N:23]([O:27][CH3:3])[CH2:9][CH2:7]3)[N:22]([CH3:2])[C:18]2=[O:25])[CH:5]=[CH:4][C:14]([Cl:21])=[CH:12]1 |
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