Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(O)C(NC(=O)c2ccc1c(cccc1)c2)C\C=C\c3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)[C@@H](C/C=C/c1ccccc1)NC(=O)c2ccc3ccccc3c2 |
SMILES | CACTVS | 3.352 | OC(=O)[CH](CC=Cc1ccccc1)NC(=O)c2ccc3ccccc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)/C=C/C[C@H](C(=O)O)NC(=O)c2ccc3ccccc3c2 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C=CCC(C(=O)O)NC(=O)c2ccc3ccccc3c2 |
InChI | InChI | 1.03 | InChI=1S/C22H19NO3/c24-21(19-14-13-17-10-4-5-11-18(17)15-19)23-20(22(25)26)12-6-9-16-7-2-1-3-8-16/h1-11,13-15,20H,12H2,(H,23,24)(H,25,26)/b9-6+/t20-/m1/s1 |
InChIKey | InChI | 1.03 | OOTIJYFZZMIZHN-AQDCRGGLSA-N |