Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C4(c2ccc(OCCN1CC(C1)CF)cc2)Oc3ccc(cc3C(=C4c5cccc(c5)O)C)O |
InChI | InChI | 1.03 | InChI=1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1 |
InChIKey | InChI | 1.03 | KJAAPZIFCQQQKX-NDEPHWFRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=C([C@@H](Oc2ccc(O)cc12)c3ccc(OCCN4CC(CF)C4)cc3)c5cccc(O)c5 |
SMILES | CACTVS | 3.385 | CC1=C([CH](Oc2ccc(O)cc12)c3ccc(OCCN4CC(CF)C4)cc3)c5cccc(O)c5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O |