SQY
Summary
| Name: | methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate |
| Formula: | C15 H14 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 320.181 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H14BrNO2/c1-19-15(18)14(12-6-8-17-9-7-12)10-11-2-4-13(16)5-3-11/h2-9,14H,10H2,1H3/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | FZQHFNVUFKNKLS-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@H](Cc1ccc(Br)cc1)c2ccncc2 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](Cc1ccc(Br)cc1)c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)[C@H](Cc1ccc(cc1)Br)c2ccncc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)C(Cc1ccc(cc1)Br)c2ccncc2 |
