Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c12c(cc(c(c1C(=O)N(CC2)CC3=C(C=C(C)NC3=O)OC)Cl)C(C4COC4)OC)Cl |
InChI | InChI | 1.03 | InChI=1S/C22H24Cl2N2O5/c1-11-6-17(29-2)15(21(27)25-11)8-26-5-4-13-16(23)7-14(19(24)18(13)22(26)28)20(30-3)12-9-31-10-12/h6-7,12,20H,4-5,8-10H2,1-3H3,(H,25,27)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | RXCVUHMIWHRLDF-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H](C1COC1)c2cc(Cl)c3CCN(CC4=C(OC)C=C(C)NC4=O)C(=O)c3c2Cl |
SMILES | CACTVS | 3.385 | CO[CH](C1COC1)c2cc(Cl)c3CCN(CC4=C(OC)C=C(C)NC4=O)C(=O)c3c2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)C(C4COC4)OC)Cl)OC |