Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2c(C1C(C(C(C1)O)O)N)cc(cc2)C |
InChI | InChI | 1.03 | InChI=1S/C12H17NO2/c1-7-3-2-4-8(5-7)9-6-10(14)12(15)11(9)13/h2-5,9-12,14-15H,6,13H2,1H3/t9-,10-,11-,12-/m1/s1 |
InChIKey | InChI | 1.03 | XKVIKQNAZKXWES-DDHJBXDOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)[C@H]2C[C@@H](O)[C@@H](O)[C@@H]2N |
SMILES | CACTVS | 3.385 | Cc1cccc(c1)[CH]2C[CH](O)[CH](O)[CH]2N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1)C2CC(C(C2N)O)O |