| Properties | Image |
|---|
| MNX_ID | MNXM162097 |
 |
| reference | keggD:D00619 |
| formula | C27H39ClN2O4 |
| global charge | 0 |
| mol weight | 491.072 |
| InChIKey | DOQPXTMNIUCOSY-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H |
| SMILES | COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C2=CC(OC)=C(OC)C=C2)C(C)C)C=C1.Cl |
MNX internals
| InChI (mnx) | InChI=1/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H/t27?; |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[C:27]([CH2:14][CH2:8][CH2:15][N:29]([CH3:3])[CH2:16][CH2:13][C:21]1=[CH:17][C:25]([O:32][CH3:6])=[C:23]([O:30][CH3:4])[CH:11]=[CH:9]1)([C:19]#[N:28])[C:22]1=[CH:18][C:26]([O:33][CH3:7])=[C:24]([O:31][CH3:5])[CH:12]=[CH:10]1.[ClH:34] |
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