Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Ic1cc(cc(I)c1OCCN(CC)CC)C(=O)c2c3ccccc3oc2CCCC |
InChI | InChI | 1.03 | InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 |
InChIKey | InChI | 1.03 | IYIKLHRQXLHMJQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3 |
SMILES | CACTVS | 3.385 | CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I |