A1CBB
Summary
| Name: | propan-2-yl 3-(3-phenyl-1H-1,2,4-triazol-1-yl)propanoate |
| Formula: | C14 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 259.304 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | propan-2-yl 3-(3-phenyl-1H-1,2,4-triazol-1-yl)propanoate |
| OpenEye OEToolkits | 3.1.0.0 | propan-2-yl 3-(3-phenyl-1,2,4-triazol-1-yl)propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)OC(=O)CCn1cnc(n1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H17N3O2/c1-11(2)19-13(18)8-9-17-10-15-14(16-17)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3 |
| InChIKey | InChI | 1.06 | SHWWXNADDRIENT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)OC(=O)CCn1cnc(n1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(C)OC(=O)CCn1cnc(n1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)OC(=O)CCn1cnc(n1)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)OC(=O)CCn1cnc(n1)c2ccccc2 |
