| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(C)(C)Cc4c(c3cc(OCc1nc2c(cc1)cccc2)ccc3n4Cc5ccc(I)cc5)C(=O)CC(C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)CC(=O)c1c(CC(C)(C)C(O)=O)n(Cc2ccc(I)cc2)c3ccc(OCc4ccc5ccccc5n4)cc13 |
| SMILES | CACTVS | 3.341 | CC(C)(C)CC(=O)c1c(CC(C)(C)C(O)=O)n(Cc2ccc(I)cc2)c3ccc(OCc4ccc5ccccc5n4)cc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)CC(=O)c1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)I)OCc4ccc5ccccc5n4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)CC(=O)c1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)I)OCc4ccc5ccccc5n4 |
| InChI | InChI | 1.03 | InChI=1S/C36H37IN2O4/c1-35(2,3)20-32(40)33-28-18-27(43-22-26-15-12-24-8-6-7-9-29(24)38-26)16-17-30(28)39(21-23-10-13-25(37)14-11-23)31(33)19-36(4,5)34(41)42/h6-18H,19-22H2,1-5H3,(H,41,42) |
| InChIKey | InChI | 1.03 | VRDARPDCOSVXDY-UHFFFAOYSA-N |
