Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H23NO4/c24-21(14-25)19-9-4-8-18(12-19)17-7-3-5-16(11-17)15-28-22-10-2-1-6-20(22)13-23(26)27/h1-12,21,25H,13-15,24H2,(H,26,27)/t21-/m1/s1 |
InChIKey | InChI | 1.03 | XHLXBWRISOPXQB-OAQYLSRUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CO)c1cccc(c1)c2cccc(COc3ccccc3CC(O)=O)c2 |
SMILES | CACTVS | 3.385 | N[CH](CO)c1cccc(c1)c2cccc(COc3ccccc3CC(O)=O)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)C(CO)N |