Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1)C2OC(C(F)C2)COC(c3ccccc3)(c4ccccc4)c5ccccc5 |
SMILES_CANONICAL | CACTVS | 3.341 | F[C@H]1C[C@@H](O[C@@H]1COC(c2ccccc2)(c3ccccc3)c4ccccc4)N5C=CC(=O)NC5=O |
SMILES | CACTVS | 3.341 | F[CH]1C[CH](O[CH]1COC(c2ccccc2)(c3ccccc3)c4ccccc4)N5C=CC(=O)NC5=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC4C(CC(O4)N5C=CC(=O)NC5=O)F |
InChI | InChI | 1.03 | InChI=1S/C28H25FN2O4/c29-23-18-26(31-17-16-25(32)30-27(31)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26H,18-19H2,(H,30,32,33)/t23-,24+,26+/m0/s1 |
InChIKey | InChI | 1.03 | GJNIPWYJQUGERM-BFLUCZKCSA-N |