Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C(C1CC(CCCCCCCOc2cc(C(N1)=O)cc(c2)C(=O)N(C)C)C)O)O |
InChI | InChI | 1.03 | InChI=1S/C23H36N2O5/c1-16-9-7-5-4-6-8-10-30-19-13-17(12-18(14-19)23(29)25(2)3)22(28)24-20(11-16)21(27)15-26/h12-14,16,20-21,26-27H,4-11,15H2,1-3H3,(H,24,28)/t16-,20+,21+/m1/s1 |
InChIKey | InChI | 1.03 | FIDGRIKGIUHGAW-CZAAIQMYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)N[C@@H](C1)[C@@H](O)CO |
SMILES | CACTVS | 3.385 | C[CH]1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)N[CH](C1)[CH](O)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)N[C@@H](C1)[C@H](CO)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)NC(C1)C(CO)O |