| Properties | Image |
|---|
| MNX_ID | MNXM60350 |
 |
| reference | keggD:D04774 |
| formula | C22H28Cl2N2O3 |
| global charge | 0 |
| mol weight | 439.383 |
| InChIKey | HNUSYDFQYYRIHJ-PRQLMWSBSA-N |
| InChI | InChI=1S/C22H27ClN2O3.ClH/c1-3-11-12-8-15-19-22(13-6-4-5-7-14(13)24(19)2)9-16(25(15)21(11)27)18(12)20(22)28-17(26)10-23;/h4-7,11-12,15-16,18-21,27H,3,8-10H2,1-2H3;1H/t11-,12-,15-,16-,18?,19-,20+,21+,22+;/m0./s1 |
| SMILES | CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)C5=CC=CC=C5[C@]45C[C@@H](C2[C@H]5OC(=O)CCl)N3[C@@H]1O.Cl |
MNX internals
| InChI (mnx) | InChI=1/C22H27ClN2O3.ClH/c1-3-11-12-8-15-19-22(13-6-4-5-7-14(13)24(19)2)9-16(25(15)21(11)27)18(12)20(22)28-17(26)10-23;/h4-7,11-12,15-16,18-21,27H,3,8-10H2,1-2H3;1H/t11-,12-,15-,16-,18?,19-,20+,21+,22+;/m0./s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:11]1[C@@H:12]2[CH2:8][C@H:15]3[C@H:19]4[C@@:22]5([CH2:9][C@@H:16]([CH:18]2[C@H:20]5[O:28][C:17]([CH2:10][Cl:23])=[O:26])[N:25]3[C@@H:21]1[OH:27])[C:13]1=[CH:6][CH:4]=[CH:5][CH:7]=[C:14]1[N:24]4[CH3:2].[ClH:29] |
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