Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C)N1CCCC(C1)N(CC1CCCCC1)C1CCC(O)CC1 |
InChI | InChI | 1.06 | InChI=1S/C20H36N2O2/c1-16(23)21-13-5-8-19(15-21)22(14-17-6-3-2-4-7-17)18-9-11-20(24)12-10-18/h17-20,24H,2-15H2,1H3/t18-,19-,20-/m1/s1 |
InChIKey | InChI | 1.06 | BWGFBDXTNPNCAD-VAMGGRTRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC[C@H](C1)N(CC2CCCCC2)[C@H]3CC[C@H](O)CC3 |
SMILES | CACTVS | 3.385 | CC(=O)N1CCC[CH](C1)N(CC2CCCCC2)[CH]3CC[CH](O)CC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC[C@H](C1)N(CC2CCCCC2)C3CCC(CC3)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCCC(C1)N(CC2CCCCC2)C3CCC(CC3)O |