XD5
Summary
| Name: | [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate |
| Formula: | C14 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 231.29 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H17NO2/c15-12-5-3-10(4-6-12)14(16)17-13-8-9-1-2-11(13)7-9/h3-6,9,11,13H,1-2,7-8,15H2/t9-,11+,13-/m0/s1 |
| InChIKey | InChI | 1.03 | GVFBCMCEUNYYSX-NDMJEZRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3 |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1)C(=O)O[CH]2C[CH]3CC[CH]2C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)OC2CC3CCC2C3)N |
