| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(O)=O)Cc1cc(C(=O)O)nn1c2ccc(cc2)CCCF |
| InChI | InChI | 1.03 | InChI=1S/C16H18FN3O4/c17-7-1-2-10-3-5-11(6-4-10)20-12(8-13(18)15(21)22)9-14(19-20)16(23)24/h3-6,9,13H,1-2,7-8,18H2,(H,21,22)(H,23,24)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | XSHSSHMFDKPBFY-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](Cc1cc(nn1c2ccc(CCCF)cc2)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1cc(nn1c2ccc(CCCF)cc2)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CCCF)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CCCF)n2c(cc(n2)C(=O)O)CC(C(=O)O)N |
