4-bromo-3-(carboxymethoxy)-5-{3-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}thiophene-2-carboxylic acid (Q27454567)

CHEMBL243942 (English)

19 October 2016

chemical formula

C₂₃H₂₈BrNO₅S

1 reference

CHEMBL243942 (English)

19 October 2016

canonical SMILES

CC1(CC(CC(C1)(C)C)NC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br)C

1 reference

CHEMBL243942 (English)

InChI=1S/C23H28BrNO5S/c1-22(2)9-15(10-23(3,4)12-22)25-14-7-5-6-13(8-14)19-17(24)18(30-11-16(26)27)20(31-19)21(28)29/h5-8,15,25H,9-12H2,1-4H3,(H,26,27)(H,28,29)

19 October 2016

Identifiers

InChI

1 reference

CHEMBL243942 (English)

OSQARHVGUZHHGT-UHFFFAOYSA-N

19 October 2016

InChIKey

1 reference

CHEMBL243942 (English)

19 October 2016

1 reference

4-Bromo-3-(carboxymethoxy)-5-{3-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}-2-thiophenecarboxylic acid (English)

19 October 2016

2 references

CHEMBL243942 (English)

matched by identifier from

19 October 2016

InChIKey

OSQARHVGUZHHGT-UHFFFAOYSA-N

1 reference

CHEMBL243942 (English)

19 October 2016

1 reference

0 references

1 reference

2QBQ (English)