Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C29H34N2O4/c1-20-26-10-8-24(18-22(26)12-14-30(3)28(20)32)34-16-6-5-7-17-35-25-9-11-27-21(2)29(33)31(4)15-13-23(27)19-25/h8-15,18-21H,5-7,16-17H2,1-4H3/t20-,21-/m1/s1 |
InChIKey | InChI | 1.06 | LPZBOHUHUQVYMM-NHCUHLMSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1C(=O)N(C)C=Cc2cc(OCCCCCOc3ccc4[C@@H](C)C(=O)N(C)C=Cc4c3)ccc12 |
SMILES | CACTVS | 3.385 | C[CH]1C(=O)N(C)C=Cc2cc(OCCCCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1c2ccc(cc2C=CN(C1=O)C)OCCCCCOc3ccc4c(c3)C=CN(C(=O)[C@@H]4C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1c2ccc(cc2C=CN(C1=O)C)OCCCCCOc3ccc4c(c3)C=CN(C(=O)C4C)C |