Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC(c1ccccc1)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)O[C@H](C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12)c3ccccc3 |
SMILES | CACTVS | 3.341 | CC(=O)O[CH](C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)O[C@@H](c1ccccc1)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)OC(c1ccccc1)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O |
InChI | InChI | 1.03 | InChI=1S/C19H14N2O6/c1-10(22)27-16(11-6-3-2-4-7-11)19(26)20-13-9-5-8-12-14(13)15(23)18(25)21-17(12)24/h2-9,16H,1H3,(H,20,26)(H,21,24,25)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | NKBDSMREMMRFSI-INIZCTEOSA-N |