Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(C)CO\N=C3/c1ccccc1c2c3cccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](CON=C1c2ccccc2c3ccccc13)C(O)=O |
SMILES | CACTVS | 3.341 | C[CH](CON=C1c2ccccc2c3ccccc13)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CON=C1c2ccccc2-c3c1cccc3)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C17H15NO3/c1-11(17(19)20)10-21-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | ZHFDVDMCVXUGGF-NSHDSACASA-N |