XJF
Summary
| Name: | [(4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methyl N-phenylcarbamate |
| Formula: | C17 H24 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 288.385 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(4~{a}~{R},8~{a}~{R})-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-quinolin-4~{a}-yl]methyl ~{N}-phenylcarbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H24N2O2/c20-16(19-14-7-2-1-3-8-14)21-13-17-10-5-4-9-15(17)18-12-6-11-17/h1-3,7-8,15,18H,4-6,9-13H2,(H,19,20)/t15-,17+/m1/s1 |
| InChIKey | InChI | 1.06 | FPJMUPBEEXJERJ-WBVHZDCISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccccc1)OC[C@@]23CCCC[C@H]2NCCC3 |
| SMILES | CACTVS | 3.385 | O=C(Nc1ccccc1)OC[C]23CCCC[CH]2NCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)OC[C@@]23CCCC[C@H]2NCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)OCC23CCCCC2NCCC3 |
