Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(OCC)Cc1cc2c(cc1)n(cc2)Cc3nc(oc3C)c4c(Cl)cccc4 |
SMILES_CANONICAL | CACTVS | 3.341 | CCO[C@@H](Cc1ccc2n(Cc3nc(oc3C)c4ccccc4Cl)ccc2c1)C(O)=O |
SMILES | CACTVS | 3.341 | CCO[CH](Cc1ccc2n(Cc3nc(oc3C)c4ccccc4Cl)ccc2c1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCO[C@@H](Cc1ccc2c(c1)ccn2Cc3c(oc(n3)c4ccccc4Cl)C)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(Cc1ccc2c(c1)ccn2Cc3c(oc(n3)c4ccccc4Cl)C)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C24H23ClN2O4/c1-3-30-22(24(28)29)13-16-8-9-21-17(12-16)10-11-27(21)14-20-15(2)31-23(26-20)18-6-4-5-7-19(18)25/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)/t22-/m0/s1 |
InChIKey | InChI | 1.03 | PAWOPJKHTZCKMT-QFIPXVFZSA-N |