Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H25NO4/c1-16-20-9-8-19(27-17(2)18-6-4-3-5-7-18)14-22(20)28-23(25)21(16)15-24-10-12-26-13-11-24/h3-9,14,17H,10-13,15H2,1-2H3/t17-/m1/s1 |
InChIKey | InChI | 1.03 | NMSLWOPGBCQVKO-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Oc1ccc2C(=C(CN3CCOCC3)C(=O)Oc2c1)C)c4ccccc4 |
SMILES | CACTVS | 3.385 | C[CH](Oc1ccc2C(=C(CN3CCOCC3)C(=O)Oc2c1)C)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)Oc2c1ccc(c2)O[C@H](C)c3ccccc3)CN4CCOCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)Oc2c1ccc(c2)OC(C)c3ccccc3)CN4CCOCC4 |