Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1ccc(cc1)C(/c2c(cc3c(c2)C(CCC3(C)C)(C)C)C)=C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc2c(cc1C(=C)c3ccc(cc3)C(O)=O)C(C)(C)CCC2(C)C |
SMILES | CACTVS | 3.341 | Cc1cc2c(cc1C(=C)c3ccc(cc3)C(O)=O)C(C)(C)CCC2(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26) |
InChIKey | InChI | 1.03 | NAVMQTYZDKMPEU-UHFFFAOYSA-N |