| Properties | Image |
|---|
| MNX_ID | MNXM733706 |
 |
| reference | keggC:C02151 |
| formula | C21H24N2O3 |
| global charge | 0 |
| mol weight | 352.434 |
| InChIKey | AUOFTPXWUVYOOQ-VJBMQPMPSA-N |
| InChI | InChI=1S/C21H24N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,12,16-17,19,22H,8-11H2,1-2H3/b13-3-/t16-,17?,19-/m0/s1 |
| SMILES | C/C=C1/CN2CCC3=C(NC4=CC=CC=C43)[C@@H]2C[C@@H]1C(C=O)C(=O)OC |
MNX internals
| InChI (mnx) | InChI=1/C21H24N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,12,16-17,19,22H,8-11H2,1-2H3/b13-3-/t16-,17?,19-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:3]=[C:13]1/[CH2:11][N:23]2[CH2:9][CH2:8][C:15]3=[C:20]([C@@H:19]2[CH2:10][C@@H:16]1[CH:17]([CH:12]=[O:24])[C:21](=[O:25])[O:26][CH3:2])[NH:22][C:18]1=[CH:7][CH:5]=[CH:4][CH:6]=[C:14]31 |
|