WP1
Summary
| Name: | 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide |
| Formula: | C11 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 191.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 2,2-dimethyl-3~{H}-1-benzofuran-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1C(C)(C)Oc2c1cccc2C(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO2/c1-11(2)6-7-4-3-5-8(10(12)13)9(7)14-11/h3-5H,6H2,1-2H3,(H2,12,13) |
| InChIKey | InChI | 1.03 | XEJUYZUPHDEACN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)Cc2cccc(C(N)=O)c2O1 |
| SMILES | CACTVS | 3.385 | CC1(C)Cc2cccc(C(N)=O)c2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(Cc2cccc(c2O1)C(=O)N)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(Cc2cccc(c2O1)C(=O)N)C |
