V63
Summary
| Name: | [(1R,5S)-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE |
| Formula: | C14 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 231.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | O=C(OC1C[C@H]2CC[C@@H](C1)N2)c3ccccc3 |
| SMILES | CACTVS | 3.352 | O=C(OC1C[CH]2CC[CH](C1)N2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3 |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C(=O)OC2CC3CCC(C2)N3 |
| InChI | InChI | 1.03 | InChI=1S/C14H17NO2/c16-14(10-4-2-1-3-5-10)17-13-8-11-6-7-12(9-13)15-11/h1-5,11-13,15H,6-9H2/t11-,12+,13+ |
| InChIKey | InChI | 1.03 | AZHSHGVBEAPALY-ITGUQSILSA-N |
