Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CC(N)C(=O)COC(=O)c1c(cccc1C)C |
InChI | InChI | 1.03 | InChI=1S/C14H17NO5/c1-8-4-3-5-9(2)13(8)14(19)20-7-11(16)10(15)6-12(17)18/h3-5,10H,6-7,15H2,1-2H3,(H,17,18)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | LGZCUCLBOSCDMA-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1cccc(C)c1C(=O)OCC(=O)[C@@H](N)CC(O)=O |
SMILES | CACTVS | 3.370 | Cc1cccc(C)c1C(=O)OCC(=O)[CH](N)CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccc(c1C(=O)OCC(=O)[C@H](CC(=O)O)N)C |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccc(c1C(=O)OCC(=O)C(CC(=O)O)N)C |