| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N3C1=C(C(CCC1)=O)C(c2ccccc2OC)CC3=O |
| InChI | InChI | 1.03 | InChI=1S/C16H17NO3/c1-20-14-8-3-2-5-10(14)11-9-15(19)17-12-6-4-7-13(18)16(11)12/h2-3,5,8,11H,4,6-7,9H2,1H3,(H,17,19)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | MDOFNEVXYMTSSJ-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1[C@H]2CC(=O)NC3=C2C(=O)CCC3 |
| SMILES | CACTVS | 3.385 | COc1ccccc1[CH]2CC(=O)NC3=C2C(=O)CCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccccc1[C@H]2CC(=O)NC3=C2C(=O)CCC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccccc1C2CC(=O)NC3=C2C(=O)CCC3 |
