24P
Summary
| Name: | (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine |
| Formula: | C18 H21 N O |
| Formal charge: | 0 |
| Formula weight: | 267.365 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[[4-(phenylmethyl)phenoxy]methyl]pyrrolidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)Cc2ccccc2)CC3NCCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | C1CN[C@H](C1)COc2ccc(Cc3ccccc3)cc2 |
| SMILES | CACTVS | 3.341 | C1CN[CH](C1)COc2ccc(Cc3ccccc3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Cc2ccc(cc2)OC[C@H]3CCCN3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Cc2ccc(cc2)OCC3CCCN3 |
| InChI | InChI | 1.03 | InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-18(11-9-16)20-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19H,4,7,12-14H2/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | NXNMORHGFGYRDN-QGZVFWFLSA-N |
