| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H26N2O4.BrH |
| Molecular Weight | 463.365 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Br.COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCC4=C(NC5=C4C=C(OC)C=C5)[C@@H]3C[C@H]12
InChI
InChIKey=VLSHLLWMYXZXCV-WUXOJFDOSA-N
InChI=1S/C22H26N2O4.BrH/c1-12-17-10-24-7-6-14-16-8-13(26-2)4-5-19(16)23-21(14)20(24)9-15(17)18(11-28-12)22(25)27-3;/h4-5,8,11-12,15,17,20,23H,6-7,9-10H2,1-3H3;1H/t12-,15-,17-,20-;/m0./s1
| Molecular Formula | C22H26N2O4 |
| Molecular Weight | 382.4528 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | BrH |
| Molecular Weight | 80.912 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
