| Properties | Image |
|---|
| MNX_ID | MNXM149778 |
 |
| reference | chebi:83619 |
| formula | C23H22ClNO4 |
| global charge | 0 |
| mol weight | 411.885 |
| InChIKey | KWLVWJPJKJMCSH-QFIPXVFZSA-N |
| InChI | InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)/t22-/m0/s1 |
| SMILES | C#CCOC1=CC=C(CCNC(=O)[C@@H](OCC#C)C2=CC=C(Cl)C=C2)C=C1OC |
MNX internals
| InChI (mnx) | InChI=1/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)/t22-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]#[C:4][CH2:14][O:28][C:20]1=[C:21]([O:27][CH3:3])[CH:16]=[C:17]([CH2:12][CH2:13][N:25]=[C:23]([C@H:22]([C:18]2=[CH:8][CH:10]=[C:19]([Cl:24])[CH:9]=[CH:7]2)[O:29][CH2:15][C:5]#[CH:2])[OH:26])[CH:6]=[CH:11]1 |
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