| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C22H21NO3/c23-22(21(24)25)11-10-15-8-9-19(12-18(15)13-22)26-14-17-6-3-5-16-4-1-2-7-20(16)17/h1-9,12H,10-11,13-14,23H2,(H,24,25)/t22-/m0/s1 |
| InChIKey | InChI | 1.03 | HRZHVSYWPDDNHF-QFIPXVFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@]1(CCc2ccc(OCc3cccc4ccccc34)cc2C1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[C]1(CCc2ccc(OCc3cccc4ccccc34)cc2C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2COc3ccc4c(c3)CC(CC4)(C(=O)O)N |
