8UG
Summary
| Name: | ethyl (5S)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate |
| Formula: | C10 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 194.23 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl (5S)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate |
| OpenEye OEToolkits | 2.0.6 | ethyl (5~{S})-4,5,6,7-tetrahydro-2~{H}-indazole-5-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2cc1c(CCC(C1)C(OCC)=O)n2 |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h6-7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | OYSSLPZFSXHQEY-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@H]1CCc2n[nH]cc2C1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH]1CCc2n[nH]cc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)[C@H]1CCc2c(c[nH]n2)C1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)C1CCc2c(c[nH]n2)C1 |
