| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc2ccc(OCC1CCCCC1)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C16H23NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11,17H2,(H,18,19)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | ZMSRPKLDTYMXDT-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(OCC2CCCCC2)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(OCC2CCCCC2)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C[C@@H](C(=O)O)N)OCC2CCCCC2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CC(C(=O)O)N)OCC2CCCCC2 |
