Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2OC(C(=O)N2Nc1ccccc1)(c4ccc(Oc3ccccc3)cc4)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)cc3 |
SMILES | CACTVS | 3.341 | C[C]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3)Oc4ccccc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3)Oc4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3/t22-/m0/s1 |
InChIKey | InChI | 1.03 | PCCSBWNGDMYFCW-QFIPXVFZSA-N |