4Y4
Summary
| Name: | 1-[2-[(2R)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one |
| Formula: | C21 H27 N O3 |
| Formal charge: | 0 |
| Formula weight: | 341.444 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-[(2~{R})-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/t18-/m1/s1 |
| InChIKey | InChI | 1.03 | JWHAUXFOSRPERK-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCNC[C@@H](O)COc1ccccc1C(=O)CCc2ccccc2 |
| SMILES | CACTVS | 3.385 | CCCNC[CH](O)COc1ccccc1C(=O)CCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCNC[C@H](COc1ccccc1C(=O)CCc2ccccc2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCNCC(COc1ccccc1C(=O)CCc2ccccc2)O |
