Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C2N(C1CCC(O)C(C1)C2O)C(=O)Nc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C15H20N2O3/c18-13-7-6-11-8-12(13)14(19)9-17(11)15(20)16-10-4-2-1-3-5-10/h1-5,11-14,18-19H,6-9H2,(H,16,20)/t11-,12-,13+,14+/m1/s1 |
InChIKey | InChI | 1.03 | JCBMUSSCLKFNPY-MQYQWHSLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CC[C@@H]2C[C@H]1[C@@H](O)CN2C(=O)Nc3ccccc3 |
SMILES | CACTVS | 3.385 | O[CH]1CC[CH]2C[CH]1[CH](O)CN2C(=O)Nc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)NC(=O)N2C[C@@H]([C@@H]3C[C@H]2CC[C@@H]3O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)NC(=O)N2CC(C3CC2CCC3O)O |