0VC
Summary
| Name: | 3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine |
| Formula: | C15 H22 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 262.347 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine |
| OpenEye OEToolkits | 1.7.6 | 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2cc(OCC1NCC1)cc(c2)C3CC3CCOC |
| InChI | InChI | 1.03 | InChI=1S/C15H22N2O2/c1-18-5-3-11-7-15(11)12-6-14(9-16-8-12)19-10-13-2-4-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13-,15-/m0/s1 |
| InChIKey | InChI | 1.03 | NMIIKXFGCKOYRV-WHOFXGATSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COCC[C@H]1C[C@@H]1c2cncc(OC[C@@H]3CCN3)c2 |
| SMILES | CACTVS | 3.370 | COCC[CH]1C[CH]1c2cncc(OC[CH]3CCN3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COCC[C@H]1C[C@@H]1c2cc(cnc2)OC[C@@H]3CCN3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COCCC1CC1c2cc(cnc2)OCC3CCN3 |
