Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)C(c1ccc(OC)cc1)CCC(=O)N(O)C |
InChI | InChI | 1.03 | InChI=1S/C12H18NO6P/c1-13(15)12(14)8-7-11(20(16,17)18)9-3-5-10(19-2)6-4-9/h3-6,11,15H,7-8H2,1-2H3,(H2,16,17,18)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | VLBYPFQOJHBTHH-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)[C@H](CCC(=O)N(C)O)[P](O)(O)=O |
SMILES | CACTVS | 3.370 | COc1ccc(cc1)[CH](CCC(=O)N(C)O)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C(=O)CC[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CN(C(=O)CCC(c1ccc(cc1)OC)P(=O)(O)O)O |