(Q27460965)

1-[(2R)-4-{3-[(3s,5s,7s)-Adamantan-1-yloxy]phenyl}-3-butyn-2-yl]-1-hydroxyurea (English)

1-[(2R)-4-[3-(1-adamantyloxy)phenyl]but-3-yn-2-yl]-1-hydroxyurea

19 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆N₂O₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(N(O)C(=O)N)C#CC1=CC(=CC=C1)OC23CC4CC(C2)CC(C3)C4

1 reference

1-[(2R)-4-{3-[(3s,5s,7s)-Adamantan-1-yloxy]phenyl}-3-butyn-2-yl]-1-hydroxyurea (English)

19 October 2016

isomeric SMILES

C[C@@H](N(O)C(=O)N)C#CC1=CC(=CC=C1)O[C@@]23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4

1 reference

1-[(2R)-4-{3-[(3s,5s,7s)-Adamantan-1-yloxy]phenyl}-3-butyn-2-yl]-1-hydroxyurea (English)

InChI=1S/C21H26N2O3/c1-14(23(25)20(22)24)5-6-15-3-2-4-19(10-15)26-21-11-16-7-17(12-21)9-18(8-16)13-21/h2-4,10,14,16-18,25H,7-9,11-13H2,1H3,(H2,22,24)/t14-,16-,17+,18-,21-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

1-[(2R)-4-{3-[(3s,5s,7s)-Adamantan-1-yloxy]phenyl}-3-butyn-2-yl]-1-hydroxyurea (English)

PFKKAYHOZBGYNL-YUZRNDJPSA-N

19 October 2016

InChIKey

1 reference

1-[(2R)-4-{3-[(3s,5s,7s)-Adamantan-1-yloxy]phenyl}-3-butyn-2-yl]-1-hydroxyurea (English)

19 October 2016

1 reference

1-[(2R)-4-{3-[(3s,5s,7s)-Adamantan-1-yloxy]phenyl}-3-butyn-2-yl]-1-hydroxyurea (English)

19 October 2016

0 references

1 reference

3SHJ (English)