A1D6W
Summary
| Name: | (~{Z})-3-(4-~{tert}-butylphenyl)-~{N}-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide |
| Synonyms: | AMG9810 |
| Formula: | C21 H23 N O3 |
| Formal charge: | 0 |
| Formula weight: | 337.412 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{Z})-3-(4-~{tert}-butylphenyl)-~{N}-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H23NO3/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18/h4-11,14H,12-13H2,1-3H3,(H,22,23) |
| InChIKey | InChI | 1.06 | GZTFUVZVLYUPRG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccc(C=CC(=O)Nc2ccc3OCCOc3c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)/C=C\C(=O)Nc2ccc3c(c2)OCCO3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)C=CC(=O)Nc2ccc3c(c2)OCCO3 |
