| Properties | Image |
|---|
| MNX_ID | MNXM101502 |
 |
| reference | chebi:66842 |
| formula | C22H25N3O4 |
| global charge | 0 |
| mol weight | 395.459 |
| InChIKey | UJAJXFUZWQQKAG-ROUUACIJSA-N |
| InChI | InChI=1S/C22H25N3O4/c1-12(2)9-19(26)20-15(14-7-6-13(29-3)10-16(14)23-20)11-17-22(28)25-8-4-5-18(25)21(27)24-17/h6-7,9-10,17-18,23H,4-5,8,11H2,1-3H3,(H,24,27)/t17-,18-/m0/s1 |
| SMILES | COC1=CC2=C(C=C1)C(C[C@@H]1NC(=O)[C@@H]3CCCN3C1=O)=C(C(=O)C=C(C)C)N2 |
MNX internals
| InChI (mnx) | InChI=1/C22H25N3O4/c1-12(2)9-19(26)20-15(14-7-6-13(29-3)10-16(14)23-20)11-17-22(28)25-8-4-5-18(25)21(27)24-17/h6-7,9-10,17-18,23H,4-5,8,11H2,1-3H3,(H,24,27)/t17-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:12]([CH3:2])=[CH:9][C:19]([C:20]1=[C:15]([CH2:11][C@H:17]2[C:22](=[O:28])[N:25]3[CH2:8][CH2:4][CH2:5][C@H:18]3[C:21]([OH:27])=[N:24]2)[C:14]2=[C:16]([CH:10]=[C:13]([O:29][CH3:3])[CH:6]=[CH:7]2)[NH:23]1)=[O:26] |
|