Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(ccc(c1F)Cl)NC(C2CCCN(C(=O)OC)C2)=O |
InChI | InChI | 1.03 | InChI=1S/C14H16ClFN2O3/c1-21-14(20)18-6-2-3-9(8-18)13(19)17-10-4-5-11(15)12(16)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,19)/t9-/m0/s1 |
InChIKey | InChI | 1.03 | IVLMMHCXKNWWBK-VIFPVBQESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(Cl)c(F)c2 |
SMILES | CACTVS | 3.385 | COC(=O)N1CCC[CH](C1)C(=O)Nc2ccc(Cl)c(F)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)N1CCCC(C1)C(=O)Nc2ccc(c(c2)F)Cl |