| Properties | Image |
|---|
| MNX_ID | MNXM40489 |
 |
| reference | chebi:2531 |
| formula | C21H24N2O3 |
| global charge | 0 |
| mol weight | 352.434 |
| InChIKey | RCEFXZXHYFOPIE-WBOATDDDSA-N |
| InChI | InChI=1S/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15-,17-,18-,21?/m0/s1 |
| SMILES | C/C=C1/CN2C3CC4=C(NC5=CC=CC=C54)[C@@H]2C[C@@H]1C3(CO)C(=O)OC |
MNX internals
| InChI (mnx) | InChI=1/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15-,17-,18-,21?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:3]=[C:12]1/[CH2:10][N:23]2[C@H:17]3[CH2:9][C@@H:15]1[C:21]([CH2:11][OH:24])([C:20](=[O:25])[O:26][CH3:2])[C@@H:18]2[CH2:8][C:14]1=[C:19]3[NH:22][C:16]2=[CH:7][CH:5]=[CH:4][CH:6]=[C:13]12 |
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