Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1ccc(c(F)c1)NC(=O)C(O)c2ccc3c(c2)C(CCC3(C)C)(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc3ccc(cc3F)C(O)=O |
SMILES | CACTVS | 3.341 | CC1(C)CCC(C)(C)c2cc(ccc12)[CH](O)C(=O)Nc3ccc(cc3F)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(CCC(c2c1ccc(c2)[C@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(CCC(c2c1ccc(c2)C(C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C |
InChI | InChI | 1.03 | InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1 |
InChIKey | InChI | 1.03 | AANFHDFOMFRLLR-LJQANCHMSA-N |