Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H27F2NO3/c1-29-21-12-17-11-18(23(28)20(17)13-22(21)30-2)14-24(26)6-8-27(9-7-24)15-16-4-3-5-19(25)10-16/h3-5,10,12-13,18H,6-9,11,14-15H2,1-2H3/t18-/m0/s1 |
InChIKey | InChI | 1.03 | BVXQHSRGCUOBMQ-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2C[C@@H](CC3(F)CCN(CC3)Cc4cccc(F)c4)C(=O)c2cc1OC |
SMILES | CACTVS | 3.385 | COc1cc2C[CH](CC3(F)CCN(CC3)Cc4cccc(F)c4)C(=O)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4cccc(c4)F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1OC)C(=O)C(C2)CC3(CCN(CC3)Cc4cccc(c4)F)F |