Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC2(c1ccccc1)C3C(NCC2)CCCC3 |
InChI | InChI | 1.03 | InChI=1S/C15H21NO/c17-15(12-6-2-1-3-7-12)10-11-16-14-9-5-4-8-13(14)15/h1-3,6-7,13-14,16-17H,4-5,8-11H2/t13-,14-,15-/m0/s1 |
InChIKey | InChI | 1.03 | JENIXYWBDVSBMO-KKUMJFAQSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O[C@@]1(CCN[C@H]2CCCC[C@H]12)c3ccccc3 |
SMILES | CACTVS | 3.370 | O[C]1(CCN[CH]2CCCC[CH]12)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)[C@]2(CCN[C@@H]3[C@@H]2CCCC3)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2(CCNC3C2CCCC3)O |