| Properties | Image |
|---|
| MNX_ID | MNXM54836 |
 |
| reference | chebi:5293 |
| formula | C20H26N2O4 |
| global charge | 0 |
| mol weight | 358.438 |
| InChIKey | RIHQHYIWKHVLRH-XKTBTPLDSA-N |
| InChI | InChI=1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/t12-,13+,15-,16+,18-,20+/m1/s1 |
| SMILES | CC[C@H]1N[C@H]2C[C@@]3(C(=O)N(OC)C4=CC(OC)=CC=C43)[C@H]3C[C@@H]1[C@@H]2CO3 |
MNX internals
| InChI (mnx) | InChI=1/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/t12-,13+,15-,16+,18-,20+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][C@@H:15]1[C@@H:12]2[CH2:8][C@@H:18]3[C@:20]4([CH2:9][C@@H:16]([C@H:13]2[CH2:10][O:26]3)[NH:21]1)[C:14]1=[CH:6][CH:5]=[C:11]([O:24][CH3:2])[CH:7]=[C:17]1[N:22]([O:25][CH3:3])[C:19]4=[O:23] |
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