種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C2c1cccc(c1C(=O)N2c4cc(c3ccccc3)ccc4O)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc2C(=O)N(C(=O)c12)c3cc(ccc3O)c4ccccc4 |
SMILES | CACTVS | 3.341 | Cc1cccc2C(=O)N(C(=O)c12)c3cc(ccc3O)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc2c1C(=O)N(C2=O)c3cc(ccc3O)c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc2c1C(=O)N(C2=O)c3cc(ccc3O)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C21H15NO3/c1-13-6-5-9-16-19(13)21(25)22(20(16)24)17-12-15(10-11-18(17)23)14-7-3-2-4-8-14/h2-12,23H,1H3 |
InChIKey | InChI | 1.03 | ROMNEYAQUBNRLR-UHFFFAOYSA-N |