Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OP(Oc1ccccc1)(Oc2ccccc2)(O)C(N)C\C=C\OC |
SMILES_CANONICAL | CACTVS | 3.370 | CO\C=C\C[C@@H](N)[P](O)(O)(Oc1ccccc1)Oc2ccccc2 |
SMILES | CACTVS | 3.370 | COC=CC[CH](N)[P](O)(O)(Oc1ccccc1)Oc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CO/C=C/C[C@@H](N)P(O)(O)(Oc1ccccc1)Oc2ccccc2 |
SMILES | OpenEye OEToolkits | 1.7.0 | COC=CCC(N)P(O)(O)(Oc1ccccc1)Oc2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C17H22NO5P/c1-21-14-8-13-17(18)24(19,20,22-15-9-4-2-5-10-15)23-16-11-6-3-7-12-16/h2-12,14,17,19-20H,13,18H2,1H3/b14-8+/t17-/m0/s1 |
InChIKey | InChI | 1.03 | UDSHKAAJKDFNDC-AAKUMTKESA-N |