種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(O)Cc1cc(c(cc1)N1CCCCC1)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C19H21NO2/c21-19(22)14-15-9-10-18(20-11-5-2-6-12-20)17(13-15)16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,21,22) |
InChIKey | InChI | 1.06 | HOITWFFAQWXRJD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1ccc(N2CCCCC2)c(c1)c3ccccc3 |
SMILES | CACTVS | 3.385 | OC(=O)Cc1ccc(N2CCCCC2)c(c1)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(ccc2N3CCCCC3)CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(ccc2N3CCCCC3)CC(=O)O |