J2Q
Summary
| Name: | ~{N}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide |
| Formula: | C16 H17 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 299.324 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17N3O3/c1-2-22-13-5-3-4-12(14(13)20)16(21)19-11-8-6-10(7-9-11)15(17)18/h3-9,20H,2H2,1H3,(H3,17,18)(H,19,21) |
| InChIKey | InChI | 1.03 | OOGOBANMDCDQFM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N |
| SMILES | CACTVS | 3.385 | CCOc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OCC)\N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOc1cccc(c1O)C(=O)Nc2ccc(cc2)C(=N)N |
