A1CXC
Summary
| Name: | methyl [(1S)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]acetate |
| Formula: | C11 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 205.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | methyl [(1S)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]acetate |
| OpenEye OEToolkits | 3.1.0.0 | methyl 2-[(1~{S})-3-oxidanylidene-1,2-dihydroisoindol-1-yl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(OC)CC1NC(=O)c2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C11H11NO3/c1-15-10(13)6-9-7-4-2-3-5-8(7)11(14)12-9/h2-5,9H,6H2,1H3,(H,12,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | VQDYXVYRKPNTGL-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C[C@@H]1NC(=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | COC(=O)C[CH]1NC(=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COC(=O)C[C@H]1c2ccccc2C(=O)N1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COC(=O)CC1c2ccccc2C(=O)N1 |
