HOF
Summary
| Name: | methyl 4-[[(1S,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate |
| Formula: | C19 H24 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 360.404 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 4-[[(1~{S},6~{S})-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H24N2O5/c1-21(2)17(22)15-6-4-5-7-16(15)20-19(24)26-12-13-8-10-14(11-9-13)18(23)25-3/h5,7-11,15-16H,4,6,12H2,1-3H3,(H,20,24)/t15-,16-/m0/s1 |
| InChIKey | InChI | 1.03 | VSPPPQJKRCRPEW-HOTGVXAUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(COC(=O)N[C@H]2C=CCC[C@@H]2C(=O)N(C)C)cc1 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(COC(=O)N[CH]2C=CCC[CH]2C(=O)N(C)C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)[C@H]1CCC=C[C@@H]1NC(=O)OCc2ccc(cc2)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)C1CCC=CC1NC(=O)OCc2ccc(cc2)C(=O)OC |
