Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC(C)(C)C)NC(C(=O)OC)Cc1ccc(cc1)C[Se](=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)[C@H](Cc1ccc(C[Se](O)=O)cc1)NC(=O)OC(C)(C)C |
SMILES | CACTVS | 3.341 | COC(=O)[CH](Cc1ccc(C[Se](O)=O)cc1)NC(=O)OC(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)C[Se](=O)O)C(=O)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)OC(=O)NC(Cc1ccc(cc1)C[Se](=O)O)C(=O)OC |
InChI | InChI | 1.03 | InChI=1S/C16H23NO6Se/c1-16(2,3)23-15(19)17-13(14(18)22-4)9-11-5-7-12(8-6-11)10-24(20)21/h5-8,13H,9-10H2,1-4H3,(H,17,19)(H,20,21)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | CEUSGDKNGCAEAX-ZDUSSCGKSA-N |