Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C5NC(c4ccc(OCc2c3ccccc3nc(c1ccccc1)c2)cc4)CC56C(C(=O)O)C6 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@H]1C[C@@]12C[C@H](NC2=O)c3ccc(OCc4cc(nc5ccccc45)c6ccccc6)cc3 |
SMILES | CACTVS | 3.341 | OC(=O)[CH]1C[C]12C[CH](NC2=O)c3ccc(OCc4cc(nc5ccccc45)c6ccccc6)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)[C@@H]5C[C@@]6(C[C@@H]6C(=O)O)C(=O)N5 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)C5CC6(CC6C(=O)O)C(=O)N5 |
InChI | InChI | 1.03 | InChI=1S/C29H24N2O4/c32-27(33)23-15-29(23)16-26(31-28(29)34)19-10-12-21(13-11-19)35-17-20-14-25(18-6-2-1-3-7-18)30-24-9-5-4-8-22(20)24/h1-14,23,26H,15-17H2,(H,31,34)(H,32,33)/t23-,26+,29-/m1/s1 |
InChIKey | InChI | 1.03 | BFZXMIUWGSTUAL-ZSOKXDGFSA-N |