Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H21NO3/c1-4-11-25-16-10-5-7-13-17(16)20-19(21(13)24)18-14(22(20)12(2)3)8-6-9-15(18)23/h4-5,7,10,12H,1,6,8-9,11H2,2-3H3 |
InChIKey | InChI | 1.03 | SPPQIWGQWJYZTO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(OCC=C)c4c13 |
SMILES | CACTVS | 3.385 | CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(OCC=C)c4c13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2 |