種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C2c1c(c(ccc1)C)C3=C(N2)CC(OC3)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C16H19NO2/c1-9(2)14-7-13-12(8-19-14)15-10(3)5-4-6-11(15)16(18)17-13/h4-6,9,14H,7-8H2,1-3H3,(H,17,18)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | IJUFQFXULPPVLY-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[C@H]1CC2=C(CO1)c3c(C)cccc3C(=O)N2 |
SMILES | CACTVS | 3.370 | CC(C)[CH]1CC2=C(CO1)c3c(C)cccc3C(=O)N2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1C3=C(C[C@@H](OC3)C(C)C)NC2=O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1C3=C(CC(OC3)C(C)C)NC2=O |