Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc3ccc(c1c2ccc(OCCCCCCN(C\C=C)C)cc2oc1)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | CN(CCCCCCOc1ccc2c(occ2c3ccc(Br)cc3)c1)CC=C |
SMILES | CACTVS | 3.341 | CN(CCCCCCOc1ccc2c(occ2c3ccc(Br)cc3)c1)CC=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@@](CCCCCCOc1ccc2c(c1)occ2c3ccc(cc3)Br)CC=C |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(CCCCCCOc1ccc2c(c1)occ2c3ccc(cc3)Br)CC=C |
InChI | InChI | 1.03 | InChI=1S/C24H28BrNO2/c1-3-14-26(2)15-6-4-5-7-16-27-21-12-13-22-23(18-28-24(22)17-21)19-8-10-20(25)11-9-19/h3,8-13,17-18H,1,4-7,14-16H2,2H3 |
InChIKey | InChI | 1.03 | JYNZIOFUHBJABQ-UHFFFAOYSA-N |