| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(OC)C1(CCN(CCc2ccccc2)CC1C)N(c1ccccc1)C(=O)CC |
| InChI | InChI | 1.03 | InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1 |
| InChIKey | InChI | 1.03 | IMYHGORQCPYVBZ-NLFFAJNJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N(c1ccccc1)[C@]2(CCN(CCc3ccccc3)C[C@H]2C)C(=O)OC |
| SMILES | CACTVS | 3.385 | CCC(=O)N(c1ccccc1)[C]2(CCN(CCc3ccccc3)C[CH]2C)C(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1ccccc1)[C@]2(CCN(C[C@H]2C)CCc3ccccc3)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1ccccc1)C2(CCN(CC2C)CCc3ccccc3)C(=O)OC |
