F9B
Summary
| Name: | 2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol |
| Formula: | C16 H21 N O4 |
| Formal charge: | 0 |
| Formula weight: | 291.342 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H21NO4/c18-9-13(10-19)17-8-14(20)11-21-16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14,17-20H,8-11H2/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | KRBDCALBFRZJTM-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC(CO)NC[C@H](O)COc1cccc2ccccc12 |
| SMILES | CACTVS | 3.385 | OCC(CO)NC[CH](O)COc1cccc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cccc2OCC(CNC(CO)CO)O |
