L61
Summary
| Name: | 2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate |
| Formula: | C14 H19 N O3 |
| Formal charge: | 0 |
| Formula weight: | 249.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methylpropyl [(1R)-3-oxo-1-phenylpropyl]carbamate |
| OpenEye OEToolkits | 1.9.2 | 2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC(C)C)NC(c1ccccc1)CC=O |
| InChI | InChI | 1.03 | InChI=1S/C14H19NO3/c1-11(2)10-18-14(17)15-13(8-9-16)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,15,17)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | DANIFTQCKXMYRY-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)COC(=O)N[C@H](CC=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | CC(C)COC(=O)N[CH](CC=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)COC(=O)N[C@H](CC=O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)COC(=O)NC(CC=O)c1ccccc1 |
