Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3cc(cc(c3)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H15ClN2O3/c18-11-7-10(8-12(21)9-11)3-2-6-19-14-5-1-4-13-15(14)17(23)20-16(13)22/h1,4-5,7-9,19,21H,2-3,6H2,(H,20,22,23) |
InChIKey | InChI | 1.03 | BCBHSHIOMUVWNJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(Cl)cc(CCCNc2cccc3C(=O)NC(=O)c23)c1 |
SMILES | CACTVS | 3.385 | Oc1cc(Cl)cc(CCCNc2cccc3C(=O)NC(=O)c23)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O |