A54
Summary
| Name: | 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile |
| Synonyms: | AR-C141954 |
| Formula: | C16 H15 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 286.756 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | NCC[C@@H](Oc1cc(Cl)ccc1C#N)c2ccccc2 |
| SMILES | CACTVS | 3.352 | NCC[CH](Oc1cc(Cl)ccc1C#N)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)[C@@H](CCN)Oc2cc(ccc2C#N)Cl |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C(CCN)Oc2cc(ccc2C#N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C16H15ClN2O/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12/h1-7,10,15H,8-9,18H2/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | GPCXUXJZOSOVLY-OAHLLOKOSA-N |
