Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC(c1ccccc1)CC)C(O)C(N)C |
InChI | InChI | 1.03 | InChI=1S/C13H20N2O2/c1-3-11(10-7-5-4-6-8-10)15-13(17)12(16)9(2)14/h4-9,11-12,16H,3,14H2,1-2H3,(H,15,17)/t9-,11+,12-/m0/s1 |
InChIKey | InChI | 1.03 | XIUYRYRUMOABLH-WCQGTBRESA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC[C@@H](NC(=O)[C@@H](O)[C@H](C)N)c1ccccc1 |
SMILES | CACTVS | 3.370 | CC[CH](NC(=O)[CH](O)[CH](C)N)c1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)N)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(c1ccccc1)NC(=O)C(C(C)N)O |