3-((3-methoxyestra-1,3,5(10)-trien-17-β-yl)oxy)-propanenitrile (Q27252522)

UNII-1K4K9BIH91 (English)

14 October 2016

chemical formula

C₂₂H₂₉NO₂

1 reference

UNII-1K4K9BIH91 (English)

14 October 2016

canonical SMILES

CC12CCC3C(C1CCC2OCCC#N)CCC4=C3C=CC(=C4)OC

1 reference

UNII-1K4K9BIH91 (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OCCC#N)CCC4=C3C=CC(=C4)OC

1 reference

UNII-1K4K9BIH91 (English)

InChI=1S/C22H29NO2/c1-22-11-10-18-17-7-5-16(24-2)14-15(17)4-6-19(18)20(22)8-9-21(22)25-13-3-12-23/h5,7,14,18-21H,3-4,6,8-11,13H2,1-2H3/t18-,19-,20+,21+,22+/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-1K4K9BIH91 (English)

SKZOMAZQGJCCKH-AANPDWTMSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-1K4K9BIH91 (English)

14 October 2016

1 reference

UNII

1K4K9BIH91

3-((3-methoxyestra-1,3,5(10)-trien-17-β-yl)oxy)-propanenitrile (English)

14 October 2016

1 reference

3-{[(17beta)-3-Methoxyestra-1,3,5(10)-trien-17-yl]oxy}propanenitrile (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-1K4K9BIH91 (English)

14 October 2016

1 reference

0 references

1 reference

UNII

1K4K9BIH91

3-((3-methoxyestra-1,3,5(10)-trien-17-β-yl)oxy)-propanenitrile (English)