| Properties | Image |
|---|
| MNX_ID | MNXM1177009 |
 |
| reference | envipathM:...e5f256a1ed80 |
| formula | C20H24N2O7 |
| global charge | 0 |
| mol weight | 404.419 |
| InChIKey | GQQHRAIPZRPZIL-UHFFFAOYSA-N |
| InChI | InChI=1S/C20H24N2O7/c1-13-4-3-5-14(12-24)15(13)16-17(29-19(26)28-11-10-23)20(21-18(16)25)6-8-22(27-2)9-7-20/h3-5,12,23H,6-11H2,1-2H3,(H,21,25) |
| SMILES | CON1CCC2(CC1)NC(=O)C(C1=C(C=O)C=CC=C1C)=C2OC(=O)OCCO |
MNX internals
| InChI (mnx) | InChI=1/C20H24N2O7/c1-13-4-3-5-14(12-24)15(13)16-17(29-19(26)28-11-10-23)20(21-18(16)25)6-8-22(27-2)9-7-20/h3-5,12,23H,6-11H2,1-2H3,(H,21,25) |
 |
| SMILES (mnx) | [CH3:1][C:13]1=[C:15]([C:16]2=[C:17]([O:29][C:19](=[O:26])[O:28][CH2:11][CH2:10][OH:23])[C:20]3([CH2:6][CH2:8][N:22]([O:27][CH3:2])[CH2:9][CH2:7]3)[N:21]=[C:18]2[OH:25])[C:14]([CH:12]=[O:24])=[CH:5][CH:3]=[CH:4]1 |
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