VW1
Summary
| Name: | (2S)-2-(4-cyanophenoxy)propanamide |
| Formula: | C10 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 190.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-(4-cyanophenoxy)propanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(4-cyanophenoxy)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1ccc(OC(C(=O)N)C)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H10N2O2/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H2,12,13) |
| InChIKey | InChI | 1.03 | JHIGQTTZYWLCKT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Oc1ccc(cc1)C#N)C(N)=O |
| SMILES | CACTVS | 3.385 | C[CH](Oc1ccc(cc1)C#N)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)N)Oc1ccc(cc1)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)N)Oc1ccc(cc1)C#N |
