Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3(C(C1CCCCC1)COc2ccc(cc2)C(O)=O)c5cc(F)c(cc5nc3c4ccc(cc4)Cl)F |
InChI | InChI | 1.03 | InChI=1S/C28H25ClF2N2O3/c29-20-10-6-18(7-11-20)27-32-24-14-22(30)23(31)15-25(24)33(27)26(17-4-2-1-3-5-17)16-36-21-12-8-19(9-13-21)28(34)35/h6-15,17,26H,1-5,16H2,(H,34,35)/t26-/m1/s1 |
InChIKey | InChI | 1.03 | DLAMZHRFSSYYFX-AREMUKBSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(OC[C@H](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5)cc1 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc(OC[CH](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2nc3cc(c(cc3n2[C@H](COc4ccc(cc4)C(=O)O)C5CCCCC5)F)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2nc3cc(c(cc3n2C(COc4ccc(cc4)C(=O)O)C5CCCCC5)F)F)Cl |