| Properties | Image |
|---|
| MNX_ID | MNXM1340408 |
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| reference | envipathM:...d07c31ad7982 |
| formula | C20H26ClN2O6 |
| global charge | -1 |
| mol weight | 425.889 |
| InChIKey | KSOKWNDEIBEZDH-UHFFFAOYSA-M |
| InChI | InChI=1S/C20H27ClN2O6/c1-5-28-19(26)29-17(20(22)6-8-23(27-4)9-7-20)16(18(24)25)15-12(2)10-14(21)11-13(15)3/h10-11H,5-9,22H2,1-4H3,(H,24,25)/p-1 |
| SMILES | CCOC(=O)OC(=C(C(=O)[O-])C1=C(C)C=C(Cl)C=C1C)C1(N)CCN(OC)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C20H27ClN2O6/c1-5-28-19(26)29-17(20(22)6-8-23(27-4)9-7-20)16(18(24)25)15-12(2)10-14(21)11-13(15)3/h10-11H,5-9,22H2,1-4H3,(H,24,25)/b17-16? |
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| SMILES (mnx) | [CH3:1][CH2:5][O:28][C:19](=[O:26])[O:29][C:17](=[C:16]([C:15]1=[C:13]([CH3:3])[CH:11]=[C:14]([Cl:21])[CH:10]=[C:12]1[CH3:2])[C:18](=[O:24])[OH:25])[C:20]1([NH2:22])[CH2:6][CH2:8][N:23]([O:27][CH3:4])[CH2:9][CH2:7]1 |
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