Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1Cc4c(OCC1)c(OCC2CCCN(C)C2)cc(c3ccc(OC)c(OC)c3)c4)CC |
InChI | InChI | 1.03 | InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m1/s1 |
InChIKey | InChI | 1.03 | YKNAKDFZAWQEEO-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@@H]3CCCN(C)C3)c4ccc(OC)c(OC)c4 |
SMILES | CACTVS | 3.385 | CCC(=O)N1CCOc2c(C1)cc(cc2OC[CH]3CCCN(C)C3)c4ccc(OC)c(OC)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(=O)N1CCOc2c(cc(cc2OC[C@@H]3CCCN(C3)C)c4ccc(c(c4)OC)OC)C1 |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(=O)N1CCOc2c(cc(cc2OCC3CCCN(C3)C)c4ccc(c(c4)OC)OC)C1 |