種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CC(C)C1(CC=C)C(=O)N(Cc2ccc(OC)cc2)C(=O)NC1=O |
InChI | InChI | 1.06 | InChI=1S/C18H22N2O4/c1-5-10-18(12(2)3)15(21)19-17(23)20(16(18)22)11-13-6-8-14(24-4)9-7-13/h5-9,12H,1,10-11H2,2-4H3,(H,19,21,23)/t18-/m0/s1 |
InChIKey | InChI | 1.06 | UHJJEIBRDLPXDT-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CN2C(=O)NC(=O)[C@](CC=C)(C(C)C)C2=O)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(CN2C(=O)NC(=O)[C](CC=C)(C(C)C)C2=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@]1(C(=O)NC(=O)N(C1=O)Cc2ccc(cc2)OC)CC=C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1(C(=O)NC(=O)N(C1=O)Cc2ccc(cc2)OC)CC=C |