H3D
Summary
| Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide |
| Formula: | C15 H19 N O3 |
| Formal charge: | 0 |
| Formula weight: | 261.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C3C(c1cc2c(cc1)OCCO2)(NC(=O)C)CCC3 |
| InChI | InChI | 1.03 | InChI=1S/C15H19NO3/c1-11(17)16-15(6-2-3-7-15)12-4-5-13-14(10-12)19-9-8-18-13/h4-5,10H,2-3,6-9H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | RVYUUTVAMYXICP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NC1(CCCC1)c2ccc3OCCOc3c2 |
| SMILES | CACTVS | 3.385 | CC(=O)NC1(CCCC1)c2ccc3OCCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)NC1(CCCC1)c2ccc3c(c2)OCCO3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NC1(CCCC1)c2ccc3c(c2)OCCO3 |
