9RK
Summary
| Name: | ~{N}-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]furan-2-carboxamide |
| Formula: | C14 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 259.257 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]furan-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13NO4/c16-14(13-6-3-7-17-13)15-8-10-9-18-11-4-1-2-5-12(11)19-10/h1-7,10H,8-9H2,(H,15,16)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | IRQMQVKHNLGEFH-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NC[C@@H]1COc2ccccc2O1)c3occc3 |
| SMILES | CACTVS | 3.385 | O=C(NC[CH]1COc2ccccc2O1)c3occc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)OC[C@H](O2)CNC(=O)c3ccco3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)OCC(O2)CNC(=O)c3ccco3 |
