Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCN(C(=O)NCCCC)C(C)C1)c1ccco1 |
InChI | InChI | 1.06 | InChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-9-8-17(11-12(18)2)14(19)13-6-5-10-21-13/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,16,20)/t12-/m1/s1 |
InChIKey | InChI | 1.06 | HESHQILVHQSCOB-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCNC(=O)N1CCN(C[C@@H]1C)C(=O)c2occc2 |
SMILES | CACTVS | 3.385 | CCCCNC(=O)N1CCN(C[CH]1C)C(=O)c2occc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCNC(=O)N1CCN(C[C@@H]1C)C(=O)c2ccco2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCNC(=O)N1CCN(CC1C)C(=O)c2ccco2 |