Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC(Cc1ccc(cc1)O)C(O)=O)OC(C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | CNBUSIJNWNXLQQ-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |
SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)OC(=O)NC(Cc1ccc(cc1)O)C(=O)O |