D3W
Summary
| Name: | (2~{R})-2-[(~{R})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine |
| Formula: | C18 H21 N O |
| Formal charge: | 0 |
| Formula weight: | 267.365 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-[(~{R})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H21NO/c1-20-17-12-6-5-10-15(17)18(16-11-7-13-19-16)14-8-3-2-4-9-14/h2-6,8-10,12,16,18-19H,7,11,13H2,1H3/t16-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | XSMYZJLQYZPORS-SJLPKXTDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1[C@H]([C@H]2CCCN2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | COc1ccccc1[CH]([CH]2CCCN2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccccc1C(c2ccccc2)C3CCCN3 |
