Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc5c(O)ccc4OC(c2ccc(OCCN1CCCCC1)cc2)C(c3ccc(O)cc3)C(c45)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c3ccc(OCCN4CCCCC4)cc3)c5ccc(O)cc5 |
SMILES | CACTVS | 3.341 | C[CH]1[CH]([CH](Oc2ccc(O)c(F)c12)c3ccc(OCCN4CCCCC4)cc3)c5ccc(O)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1c2c(ccc(c2F)O)O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCCC5 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1c2c(ccc(c2F)O)OC(C1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCCC5 |
InChI | InChI | 1.03 | InChI=1S/C29H32FNO4/c1-19-26(20-5-9-22(32)10-6-20)29(35-25-14-13-24(33)28(30)27(19)25)21-7-11-23(12-8-21)34-18-17-31-15-3-2-4-16-31/h5-14,19,26,29,32-33H,2-4,15-18H2,1H3/t19-,26+,29-/m0/s1 |
InChIKey | InChI | 1.03 | KOYRLVBQHJNLQX-IFVHXUSFSA-N |