Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H27F2NO3/c1-29-21-12-17-11-18(23(28)19(17)13-22(21)30-2)14-24(26)7-9-27(10-8-24)15-16-5-3-4-6-20(16)25/h3-6,12-13,18H,7-11,14-15H2,1-2H3/t18-/m0/s1 |
InChIKey | InChI | 1.03 | DCZOKUPYRTZAFN-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2C[C@@H](CC3(F)CCN(CC3)Cc4ccccc4F)C(=O)c2cc1OC |
SMILES | CACTVS | 3.385 | COc1cc2C[CH](CC3(F)CCN(CC3)Cc4ccccc4F)C(=O)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4ccccc4F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1OC)C(=O)C(C2)CC3(CCN(CC3)Cc4ccccc4F)F |