41U
Summary
| Name: | nisoxetine |
| Synonyms: | (3S)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine |
| Formula: | C17 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 271.354 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine |
| OpenEye OEToolkits | 1.9.2 | (3S)-3-(2-methoxyphenoxy)-N-methyl-3-phenyl-propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(c1ccccc1OC)C(c2ccccc2)CCNC |
| InChI | InChI | 1.03 | InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | ITJNARMNRKSWTA-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCC[C@H](Oc1ccccc1OC)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CNCC[CH](Oc1ccccc1OC)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNCC[C@@H](c1ccccc1)Oc2ccccc2OC |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNCCC(c1ccccc1)Oc2ccccc2OC |
