Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCOC(=O)C(C)c1cccc(c1)C(=O)c2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C18H18O3/c1-3-21-18(20)13(2)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3/t13-/m0/s1 |
InChIKey | InChI | 1.03 | CQSMNXCTDMLMLM-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@@H](C)c1cccc(c1)C(=O)c2ccccc2 |
SMILES | CACTVS | 3.385 | CCOC(=O)[CH](C)c1cccc(c1)C(=O)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)[C@@H](C)c1cccc(c1)C(=O)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)C(C)c1cccc(c1)C(=O)c2ccccc2 |