Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N(C)C)N3Cc1c(ccc(c1C)C)C(c2cccc(O)c2)C3 |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)C(=O)N1C[C@H](c2cccc(O)c2)c3ccc(C)c(C)c3C1 |
SMILES | CACTVS | 3.341 | CN(C)C(=O)N1C[CH](c2cccc(O)c2)c3ccc(C)c(C)c3C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc2c(c1C)CN(C[C@@H]2c3cccc(c3)O)C(=O)N(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc2c(c1C)CN(CC2c3cccc(c3)O)C(=O)N(C)C |
InChI | InChI | 1.03 | InChI=1S/C20H24N2O2/c1-13-8-9-17-18(14(13)2)11-22(20(24)21(3)4)12-19(17)15-6-5-7-16(23)10-15/h5-10,19,23H,11-12H2,1-4H3/t19-/m1/s1 |
InChIKey | InChI | 1.03 | HPVCRUIDFODATB-LJQANCHMSA-N |