4JW
Summary
| Name: | (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide |
| Formula: | C16 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 269.295 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide |
| OpenEye OEToolkits | 1.9.2 | (3S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1)N(C(=O)C3COc2ccccc2O3)C |
| InChI | InChI | 1.03 | InChI=1S/C16H15NO3/c1-17(12-7-3-2-4-8-12)16(18)15-11-19-13-9-5-6-10-14(13)20-15/h2-10,15H,11H2,1H3/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | NKHFUWXPKFRIAY-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C(=O)[C@@H]1COc2ccccc2O1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CN(C(=O)[CH]1COc2ccccc2O1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(c1ccccc1)C(=O)[C@@H]2COc3ccccc3O2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN(c1ccccc1)C(=O)C2COc3ccccc3O2 |
