PDB CCD ID: | RH4 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C13 H13 N O3 |
InChI: | 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: | DTRVWRJNHJVAQQ-GFCCVEGCSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 2.0.6 | COC(=O)C(Cc1ccco1)c2ccncc2 | OpenEye OEToolkits 2.0.6 | COC(=O)[C@H](Cc1ccco1)c2ccncc2 | CACTVS 3.385 | COC(=O)[CH](Cc1occc1)c2ccncc2 | CACTVS 3.385 | COC(=O)[C@H](Cc1occc1)c2ccncc2 | ACDLabs 12.01 | c2(CC(c1ccncc1)C(OC)=O)ccco2 |
|
Name: | methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate |