Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H22N2O6/c1-3-33-25(32)23-26-17-13-12-16(22(30)21-18(28)10-7-11-19(21)29)14(2)20(17)24(31)27(23)15-8-5-4-6-9-15/h4-6,8-9,12-13,28H,3,7,10-11H2,1-2H3 |
InChIKey | InChI | 1.03 | AUUQMCPECJKYRI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)C1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=C(O)CCCC4=O |
SMILES | CACTVS | 3.385 | CCOC(=O)C1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=C(O)CCCC4=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1=Nc2ccc(c(c2C(=O)N1c3ccccc3)C)C(=O)C4=C(CCCC4=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1=Nc2ccc(c(c2C(=O)N1c3ccccc3)C)C(=O)C4=C(CCCC4=O)O |