Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H20N2O4/c1-3-26-17-7-5-14(11-18(17)25-2)19(20(23)24)22-16-6-4-15-12-21-9-8-13(15)10-16/h4-12,19,22H,3H2,1-2H3,(H,23,24)/t19-/m1/s1 |
InChIKey | InChI | 1.03 | IHYCOARTGIZNKD-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(cc1OC)[C@@H](Nc2ccc3cnccc3c2)C(O)=O |
SMILES | CACTVS | 3.385 | CCOc1ccc(cc1OC)[CH](Nc2ccc3cnccc3c2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOc1ccc(cc1OC)[C@H](C(=O)O)Nc2ccc3cnccc3c2 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOc1ccc(cc1OC)C(C(=O)O)Nc2ccc3cnccc3c2 |