Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C5c4c2c1cc(O)ccc1n(c2cc(c3ccccc3)c4C(=O)N5)CCC(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCn1c2ccc(O)cc2c3c1cc(c4ccccc4)c5C(=O)NC(=O)c35 |
SMILES | CACTVS | 3.341 | OC(=O)CCn1c2ccc(O)cc2c3c1cc(c4ccccc4)c5C(=O)NC(=O)c35 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cc3c(c4cc(ccc4n3CCC(=O)O)O)c5c2C(=O)NC5=O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cc3c(c4cc(ccc4n3CCC(=O)O)O)c5c2C(=O)NC5=O |
InChI | InChI | 1.03 | InChI=1S/C23H16N2O5/c26-13-6-7-16-15(10-13)19-17(25(16)9-8-18(27)28)11-14(12-4-2-1-3-5-12)20-21(19)23(30)24-22(20)29/h1-7,10-11,26H,8-9H2,(H,27,28)(H,24,29,30) |
InChIKey | InChI | 1.03 | JDARUOOLJCFUOY-UHFFFAOYSA-N |