Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC2(C(c1ccc(O)cc1)CN(C)C)CCCCC2 |
InChI | InChI | 1.03 | InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/t15-/m0/s1 |
InChIKey | InChI | 1.03 | KYYIDSXMWOZKMP-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C[C@@H](c1ccc(O)cc1)C2(O)CCCCC2 |
SMILES | CACTVS | 3.385 | CN(C)C[CH](c1ccc(O)cc1)C2(O)CCCCC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C)C[C@@H](c1ccc(cc1)O)C2(CCCCC2)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CN(C)CC(c1ccc(cc1)O)C2(CCCCC2)O |