RH4
Summary
| Name: | methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate |
| Formula: | C13 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 231.247 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate |
| OpenEye OEToolkits | 2.0.6 | methyl (2~{R})-3-(furan-2-yl)-2-pyridin-4-yl-propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(CC(c1ccncc1)C(OC)=O)ccco2 |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO3/c1-16-13(15)12(9-11-3-2-8-17-11)10-4-6-14-7-5-10/h2-8,12H,9H2,1H3/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | DTRVWRJNHJVAQQ-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@H](Cc1occc1)c2ccncc2 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](Cc1occc1)c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)[C@H](Cc1ccco1)c2ccncc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)C(Cc1ccco1)c2ccncc2 |
