Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H25NO3/c1-13(2)11-12-27-18-10-5-7-15-19(18)22-21(23(15)26)20-16(24(22)14(3)4)8-6-9-17(20)25/h5,7,10-11,14H,6,8-9,12H2,1-4H3 |
InChIKey | InChI | 1.03 | IGWUYWFNHIJBBD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(OCC=C(C)C)c4c13 |
SMILES | CACTVS | 3.385 | CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(OCC=C(C)C)c4c13 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)n1c2c(c3c1-c4c(cccc4OCC=C(C)C)C3=O)C(=O)CCC2 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)n1c2c(c3c1-c4c(cccc4OCC=C(C)C)C3=O)C(=O)CCC2 |