Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC)C3C1N(C)C(CC1)CC3OP(=O)(O)c2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)O[P@](O)(=O)c3ccccc3 |
SMILES | CACTVS | 3.341 | COC(=O)[CH]1[CH](C[CH]2CC[CH]1N2C)O[P](O)(=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O[P@](=O)(c3ccccc3)O)C(=O)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1C2CCC1C(C(C2)OP(=O)(c3ccccc3)O)C(=O)OC |
InChI | InChI | 1.03 | InChI=1S/C16H22NO5P/c1-17-11-8-9-13(17)15(16(18)21-2)14(10-11)22-23(19,20)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3,(H,19,20)/t11-,13+,14-,15+/m0/s1 |
InChIKey | InChI | 1.03 | WJTKWTJTOSZMKO-PMOUVXMZSA-N |