Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cccc2ccc(nc12)C(=O)O)c4c3c(cccc3)ccc4 |
InChI | InChI | 1.03 | InChI=1S/C20H13NO2/c22-20(23)18-12-11-14-7-4-10-17(19(14)21-18)16-9-3-6-13-5-1-2-8-15(13)16/h1-12H,(H,22,23) |
InChIKey | InChI | 1.03 | QMAYJELNBDAEMC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2cccc(c3cccc4ccccc34)c2n1 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc2cccc(c3cccc4ccccc34)c2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O |