| Properties | Image |
|---|
| MNX_ID | MNXM1180078 |
 |
| reference | envipathM:...62bef192a716 |
| formula | C21H28N2O7 |
| global charge | 0 |
| mol weight | 420.462 |
| InChIKey | NLLSCCMDZZRIHA-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H28N2O7/c1-14-5-4-6-15(13-25)16(14)17-18(30-20(27)29-12-11-24)21(22(2)19(17)26)7-9-23(28-3)10-8-21/h4-6,11,17-18,25H,7-10,12-13H2,1-3H3 |
| SMILES | CON1CCC2(CC1)C(OC(=O)OCC=O)C(C1=C(CO)C=CC=C1C)C(=O)N2C |
MNX internals
| InChI (mnx) | InChI=1/C21H28N2O7/c1-14-5-4-6-15(13-25)16(14)17-18(30-20(27)29-12-11-24)21(22(2)19(17)26)7-9-23(28-3)10-8-21/h4-6,11,17-18,25H,7-10,12-13H2,1-3H3/t17?,18? |
 |
| SMILES (mnx) | [CH3:1][C:14]1=[C:16]([CH:17]2[CH:18]([O:30][C:20](=[O:27])[O:29][CH2:12][CH:11]=[O:24])[C:21]3([CH2:7][CH2:9][N:23]([O:28][CH3:3])[CH2:10][CH2:8]3)[N:22]([CH3:2])[C:19]2=[O:26])[C:15]([CH2:13][OH:25])=[CH:6][CH:4]=[CH:5]1 |
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