Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCc4ccc(c3ccccc3)cc4 |
SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)c1cccc(n1)c2oc(nc2)C(=O)CCc3ccc(cc3)c4ccccc4 |
SMILES | CACTVS | 3.352 | OC(=O)c1cccc(n1)c2oc(nc2)C(=O)CCc3ccc(cc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C24H18N2O4/c27-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)23-25-15-22(30-23)19-7-4-8-20(26-19)24(28)29/h1-10,12-13,15H,11,14H2,(H,28,29) |
InChIKey | InChI | 1.03 | VGYASWDHSIVABN-UHFFFAOYSA-N |