Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C=CC(=O)N1c5ccc(C=2c4c(OC=3C=2C=CC(=O)C=3)cc(O)cc4)c(C(=O)O)c5 |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cc(ccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24)N5C(=O)C=CC5=O |
SMILES | CACTVS | 3.370 | OC(=O)c1cc(ccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24)N5C(=O)C=CC5=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1N2C(=O)C=CC2=O)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1N2C(=O)C=CC2=O)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O |
InChI | InChI | 1.03 | InChI=1S/C24H13NO7/c26-13-2-5-16-19(10-13)32-20-11-14(27)3-6-17(20)23(16)15-4-1-12(9-18(15)24(30)31)25-21(28)7-8-22(25)29/h1-11,26H,(H,30,31) |
InChIKey | InChI | 1.03 | HFBMFFXWMZRDIY-UHFFFAOYSA-N |