PDB CCD ID: | EN8 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C12 H17 N O4 |
InChI: | InChI=1S/C12H17NO4/c1-11(14-3)12(2,15-4)17-10-7-8(13)5-6-9(10)16-11/h5-7H,13H2,1-4H3/t11-,12-/m1/s1 |
InChIKey: | NUAVTOFNYXFNFD-VXGBXAGGSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | CO[C]1(C)Oc2ccc(N)cc2O[C]1(C)OC | OpenEye OEToolkits 2.0.6 | C[C@@]1([C@](Oc2cc(ccc2O1)N)(C)OC)OC | OpenEye OEToolkits 2.0.6 | CC1(C(Oc2cc(ccc2O1)N)(C)OC)OC | CACTVS 3.385 | CO[C@]1(C)Oc2ccc(N)cc2O[C@@]1(C)OC |
|
Name: | (2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine |