PQ5
Summary
| Name: | 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid |
| Formula: | C17 H16 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 340.333 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4O4/c22-17(23)12-2-1-11-9-14(12)25-8-7-24-6-4-18-15-3-5-21-16(20-15)13(11)10-19-21/h1-3,5,9-10H,4,6-8H2,(H,18,20)(H,22,23) |
| InChIKey | InChI | 1.03 | ZZVWSUCYWBUTCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2cc1OCCOCCNc3ccn4ncc2c4n3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2cc1OCCOCCNc3ccn4ncc2c4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2cc1-c3cnn4c3nc(cc4)NCCOCCO2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2cc1-c3cnn4c3nc(cc4)NCCOCCO2)C(=O)O |
