V8D
Summary
| Name: | Etomidate |
| Formula: | C14 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 244.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate |
| OpenEye OEToolkits | 2.0.7 | ethyl 3-[(1~{R})-1-phenylethyl]imidazole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C)(n1c(cnc1)C(OCC)=O)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | NPUKDXXFDDZOKR-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1cncn1[C@H](C)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1cncn1[CH](C)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1cncn1[C@H](C)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1cncn1C(C)c2ccccc2 |
