Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H15NO4/c24-20-15-10-5-4-9-14(15)18-16(20)11-6-12-17(18)21(25)23-19(22(26)27)13-7-2-1-3-8-13/h1-12,19H,(H,23,25)(H,26,27)/t19-/m1/s1 |
InChIKey | InChI | 1.03 | JJNHPDOJBUAQDZ-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H](NC(=O)c1cccc2C(=O)c3ccccc3c12)c4ccccc4 |
SMILES | CACTVS | 3.385 | OC(=O)[CH](NC(=O)c1cccc2C(=O)c3ccccc3c12)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H](C(=O)O)NC(=O)c2cccc3c2-c4ccccc4C3=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(C(=O)O)NC(=O)c2cccc3c2-c4ccccc4C3=O |