| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Ic1ccc2nc(OC)c(cc2c1)C(c3ccccc3)C(O)(c5c4ccccc4ccc5)CCN(C)C |
| InChI | InChI | 1.03 | InChI=1S/C32H31IN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1 |
| InChIKey | InChI | 1.03 | UXPXAEJHNFTCFD-XLJNKUFUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1nc2ccc(I)cc2cc1[C@@H](c3ccccc3)[C@@](O)(CCN(C)C)c4cccc5ccccc45 |
| SMILES | CACTVS | 3.385 | COc1nc2ccc(I)cc2cc1[CH](c3ccccc3)[C](O)(CCN(C)C)c4cccc5ccccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)I)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(C)CCC(c1cccc2c1cccc2)(C(c3ccccc3)c4cc5cc(ccc5nc4OC)I)O |
