種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(NC1(CCOCC1)c1cccc(F)c1)Cc1cccc(O)c1 |
InChI | InChI | 1.03 | InChI=1S/C19H20FNO3/c20-16-5-2-4-15(13-16)19(7-9-24-10-8-19)21-18(23)12-14-3-1-6-17(22)11-14/h1-6,11,13,22H,7-10,12H2,(H,21,23) |
InChIKey | InChI | 1.03 | UQVBMSYLQWGFOX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(CC(=O)NC2(CCOCC2)c3cccc(F)c3)c1 |
SMILES | CACTVS | 3.385 | Oc1cccc(CC(=O)NC2(CCOCC2)c3cccc(F)c3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)O)CC(=O)NC2(CCOCC2)c3cccc(c3)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)O)CC(=O)NC2(CCOCC2)c3cccc(c3)F |