Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1ccc(cc1)CN3C(=C(c2c(ccc(Cl)c2)C3=O)c4ccccc4)C(=O)CC |
SMILES_CANONICAL | CACTVS | 3.341 | CCC(=O)C1=C(c2ccccc2)c3cc(Cl)ccc3C(=O)N1Cc4ccc(cc4)C(O)=O |
SMILES | CACTVS | 3.341 | CCC(=O)C1=C(c2ccccc2)c3cc(Cl)ccc3C(=O)N1Cc4ccc(cc4)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)C(=O)O)Cl)c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)C(=O)O)Cl)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C26H20ClNO4/c1-2-22(29)24-23(17-6-4-3-5-7-17)21-14-19(27)12-13-20(21)25(30)28(24)15-16-8-10-18(11-9-16)26(31)32/h3-14H,2,15H2,1H3,(H,31,32) |
InChIKey | InChI | 1.03 | ITAZALHTZBIKDO-UHFFFAOYSA-N |