| Properties | Image |
|---|
| MNX_ID | MNXM42433 |
 |
| reference | chebi:2787 |
| formula | C21H24N2O2 |
| global charge | 0 |
| mol weight | 336.435 |
| InChIKey | OZDNDGXASTWERN-CTNGQTDRSA-N |
| InChI | InChI=1S/C21H24N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3/t19-,21+/m1/s1 |
| SMILES | CC[C@]12C=C(C(=O)OC)N3C4=CC=CC=C4C4=C3[C@H]1N(CCC2)CC4 |
MNX internals
| InChI (mnx) | InChI=1/C21H24N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3/t19-,21+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@@:21]12[CH2:10][CH2:6][CH2:11][N:22]3[CH2:12][CH2:9][C:15]4=[C:18]([C@H:19]13)[N:23]([C:16]1=[CH:8][CH:5]=[CH:4][CH:7]=[C:14]41)[C:17]([C:20](=[O:24])[O:25][CH3:2])=[CH:13]2 |
|