PDB CCD ID: | 2K6 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C13 H15 N O2 |
InChI: | InChI=1S/C13H15NO2/c1-10(15)9-12(7-8-14)11-3-5-13(16-2)6-4-11/h3-6,12H,7,9H2,1-2H3/t12-/m1/s1 |
InChIKey: | UZVHUQSCXULJKG-GFCCVEGCSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | COc1ccc(cc1)[C@H](CC#N)CC(C)=O | ACDLabs 12.01 | O=C(C)CC(c1ccc(OC)cc1)CC#N | OpenEye OEToolkits 1.7.6 | CC(=O)C[C@@H](CC#N)c1ccc(cc1)OC | CACTVS 3.385 | COc1ccc(cc1)[CH](CC#N)CC(C)=O | OpenEye OEToolkits 1.7.6 | CC(=O)CC(CC#N)c1ccc(cc1)OC |
|
Name: | (3R)-3-(4-methoxyphenyl)-5-oxohexanenitrile |
ZINC: | ZINC000263621113 |