27P
Summary
| Name: | 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine |
| Formula: | C19 H23 N O |
| Formal charge: | 0 |
| Formula weight: | 281.392 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine |
| OpenEye OEToolkits | 1.5.0 | 1-[2-[4-(phenylmethyl)phenoxy]ethyl]pyrrolidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)Cc2ccccc2)CCN3CCCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | C1CCN(C1)CCOc2ccc(Cc3ccccc3)cc2 |
| SMILES | CACTVS | 3.341 | C1CCN(C1)CCOc2ccc(Cc3ccccc3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Cc2ccc(cc2)OCCN3CCCC3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Cc2ccc(cc2)OCCN3CCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C19H23NO/c1-2-6-17(7-3-1)16-18-8-10-19(11-9-18)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2 |
| InChIKey | InChI | 1.03 | JQTXWEHBUDESJC-UHFFFAOYSA-N |
