Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cc2c(cc1)nc(c2)C(=O)Nc3ccc(cc3)C(O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H](O)c1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2)cc1 |
SMILES | CACTVS | 3.341 | OC[CH](O)c1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@H](CO)O)NC(=O)c2cc3cc(ccc3[nH]2)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(CO)O)NC(=O)c2cc3cc(ccc3[nH]2)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H15ClN2O3/c18-12-3-6-14-11(7-12)8-15(20-14)17(23)19-13-4-1-10(2-5-13)16(22)9-21/h1-8,16,20-22H,9H2,(H,19,23)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | SHCHFGSUYJUEBR-INIZCTEOSA-N |