Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1ccc(Br)cc1)c2ccc(OCCCCCCN(C\C=C)C)cc2F |
SMILES_CANONICAL | CACTVS | 3.341 | CN(CCCCCCOc1ccc(c(F)c1)C(=O)c2ccc(Br)cc2)CC=C |
SMILES | CACTVS | 3.341 | CN(CCCCCCOc1ccc(c(F)c1)C(=O)c2ccc(Br)cc2)CC=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@@](CCCCCCOc1ccc(c(c1)F)C(=O)c2ccc(cc2)Br)CC=C |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(CCCCCCOc1ccc(c(c1)F)C(=O)c2ccc(cc2)Br)CC=C |
InChI | InChI | 1.03 | InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3 |
InChIKey | InChI | 1.03 | CMYCCJYVZIMDFU-UHFFFAOYSA-N |