| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C3CCC(C#N)(c2cc(OC1CCCC1)c(OC)cc2)CC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1OC2CCCC2)[C@]3(CC[C@@H](CC3)C(O)=O)C#N |
| SMILES | CACTVS | 3.341 | COc1ccc(cc1OC2CCCC2)[C]3(CC[CH](CC3)C(O)=O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N |
| InChI | InChI | 1.03 | InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- |
| InChIKey | InChI | 1.03 | CFBUZOUXXHZCFB-OYOVHJISSA-N |
