PDB CCD ID: | W50 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C13 H18 Br N O2 |
InChI: | InChI=1S/C13H18BrNO2/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1 |
InChIKey: | ZPUOKDVHZIOSSX-NSHDSACASA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | c1ccc(c(c1)OCC(CN2CCCC2)O)Br | CACTVS 3.385 | O[CH](COc1ccccc1Br)CN2CCCC2 | CACTVS 3.385 | O[C@H](COc1ccccc1Br)CN2CCCC2 | ACDLabs 12.01 | OC(COc1ccccc1Br)CN1CCCC1 | OpenEye OEToolkits 2.0.7 | c1ccc(c(c1)OC[C@H](CN2CCCC2)O)Br |
|
Name: | (2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol |
ZINC: | ZINC000004819486 |