Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1C(=C(O)N(C(=O)N1)COCCO)Cc3cccc(OCc2ccccc2)c3 |
SMILES_CANONICAL | CACTVS | 3.341 | OCCOCN1C(=O)NC(=O)C(=C1O)Cc2cccc(OCc3ccccc3)c2 |
SMILES | CACTVS | 3.341 | OCCOCN1C(=O)NC(=O)C(=C1O)Cc2cccc(OCc3ccccc3)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O |
InChI | InChI | 1.03 | InChI=1S/C21H22N2O6/c24-9-10-28-14-23-20(26)18(19(25)22-21(23)27)12-16-7-4-8-17(11-16)29-13-15-5-2-1-3-6-15/h1-8,11,24,26H,9-10,12-14H2,(H,22,25,27) |
InChIKey | InChI | 1.03 | CAWXCABXSPTFRN-UHFFFAOYSA-N |