Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1 |
InChIKey | InChI | 1.03 | RKUNBYITZUJHSG-FXUDXRNXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3 |
SMILES | CACTVS | 3.385 | CN1[CH]2CC[CH]1C[CH](C2)OC(=O)[CH](CO)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 |