| Properties | Image |
|---|
| MNX_ID | MNXM158649 |
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| reference | keggD:D05106 |
| formula | C29H32ClNO2 |
| global charge | 0 |
| mol weight | 462.033 |
| InChIKey | HJOOGTROABIIIU-UHFFFAOYSA-N |
| InChI | InChI=1S/C29H31NO2.ClH/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30;/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3;1H |
| SMILES | COC1=CC2=C(C=C1)C(C1=CC=C(OCCN3CCCC3)C=C1)=C(C1=CC=CC=C1)CC2.Cl |
MNX internals
| InChI (mnx) | InChI=1/C29H31NO2.ClH/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30;/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3;1H |
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| SMILES (mnx) | [CH3:1][O:31][C:26]1=[CH:14][CH:16]=[C:28]2[C:24](=[CH:21]1)[CH2:11][CH2:15][C:27]([C:22]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)=[C:29]2[C:23]1=[CH:10][CH:13]=[C:25]([O:32][CH2:20][CH2:19][N:30]2[CH2:17][CH2:5][CH2:6][CH2:18]2)[CH:12]=[CH:9]1.[ClH:33] |
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