Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCc1ccc(cc1)NCc1cc(Oc2ccccc2)ccc1 |
InChI | InChI | 1.06 | InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25) |
InChIKey | InChI | 1.06 | DGENZVKCTGIDRZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 |
SMILES | CACTVS | 3.385 | OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2cccc(c2)CNc3ccc(cc3)CCC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2cccc(c2)CNc3ccc(cc3)CCC(=O)O |