Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1C(=CN(C(=O)N1)COCCO)Cc3cccc(OCc2ccccc2)c3 |
SMILES_CANONICAL | CACTVS | 3.341 | OCCOCN1C=C(Cc2cccc(OCc3ccccc3)c2)C(=O)NC1=O |
SMILES | CACTVS | 3.341 | OCCOCN1C=C(Cc2cccc(OCc3ccccc3)c2)C(=O)NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO |
InChI | InChI | 1.03 | InChI=1S/C21H22N2O5/c24-9-10-27-15-23-13-18(20(25)22-21(23)26)11-17-7-4-8-19(12-17)28-14-16-5-2-1-3-6-16/h1-8,12-13,24H,9-11,14-15H2,(H,22,25,26) |
InChIKey | InChI | 1.03 | CSXNPJKDZKLDET-UHFFFAOYSA-N |