Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(C(N)Cc1ccccc1)CNCC(C)CC |
InChI | InChI | 1.03 | InChI=1S/C15H26N2O/c1-3-12(2)10-17-11-15(18)14(16)9-13-7-5-4-6-8-13/h4-8,12,14-15,17-18H,3,9-11,16H2,1-2H3/t12-,14-,15+/m0/s1 |
InChIKey | InChI | 1.03 | BCCHGVZYNCKDJB-AEGPPILISA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H](C)CNC[C@@H](O)[C@@H](N)Cc1ccccc1 |
SMILES | CACTVS | 3.370 | CC[CH](C)CNC[CH](O)[CH](N)Cc1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC[C@H](C)CNC[C@H]([C@H](Cc1ccccc1)N)O |
SMILES | OpenEye OEToolkits | 1.7.2 | CCC(C)CNCC(C(Cc1ccccc1)N)O |