LNQ
Summary
| Name: | 3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE |
| Formula: | C14 H24 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 300.351 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-amino-4-({3-[2-(2-propoxyethoxy)ethoxy]propyl}amino)cyclobut-3-ene-1,2-dione |
| OpenEye OEToolkits | 1.5.0 | 3-amino-4-[3-[2-(2-propoxyethoxy)ethoxy]propylamino]cyclobut-3-ene-1,2-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(N)=C(NCCCOCCOCCOCCC)C1=O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCOCCOCCOCCCNC1=C(N)C(=O)C1=O |
| SMILES | CACTVS | 3.341 | CCCOCCOCCOCCCNC1=C(N)C(=O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCOCCOCCOCCCNC1=C(C(=O)C1=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCOCCOCCOCCCNC1=C(C(=O)C1=O)N |
| InChI | InChI | 1.03 | InChI=1S/C14H24N2O5/c1-2-5-19-7-9-21-10-8-20-6-3-4-16-12-11(15)13(17)14(12)18/h16H,2-10,15H2,1H3 |
| InChIKey | InChI | 1.03 | ZUVPNXOKAPTNLU-UHFFFAOYSA-N |
