7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid (Q27464306)

7-(4-{[3-(2,6-Dimethylphenyl)-5-(1-Methylethyl)isoxazol-4-Yl]methoxy}phenyl)isoquinoline-3-Carboxylic Acid (English)

19 October 2016

chemical formula

C₃₁H₂₈N₂O₄

1 reference

7-(4-{[3-(2,6-Dimethylphenyl)-5-(1-Methylethyl)isoxazol-4-Yl]methoxy}phenyl)isoquinoline-3-Carboxylic Acid (English)

19 October 2016

canonical SMILES

CC1=C(C(=CC=C1)C)C2=NOC(=C2COC3=CC=C(C=C3)C4=CC5=CN=C(C=C5C=C4)C(=O)O)C(C)C

1 reference

7-(4-{[3-(2,6-Dimethylphenyl)-5-(1-Methylethyl)isoxazol-4-Yl]methoxy}phenyl)isoquinoline-3-Carboxylic Acid (English)

InChI=1S/C31H28N2O4/c1-18(2)30-26(29(33-37-30)28-19(3)6-5-7-20(28)4)17-36-25-12-10-21(11-13-25)22-8-9-23-15-27(31(34)35)32-16-24(23)14-22/h5-16,18H,17H2,1-4H3,(H,34,35)

19 October 2016

Identifiers

InChI

1 reference

7-(4-{[3-(2,6-Dimethylphenyl)-5-(1-Methylethyl)isoxazol-4-Yl]methoxy}phenyl)isoquinoline-3-Carboxylic Acid (English)

DWPOYLMUSLXOEM-UHFFFAOYSA-N

19 October 2016

InChIKey

1 reference

7-(4-{[3-(2,6-Dimethylphenyl)-5-(1-Methylethyl)isoxazol-4-Yl]methoxy}phenyl)isoquinoline-3-Carboxylic Acid (English)

19 October 2016

1 reference

7-(4-{[3-(2,6-Dimethylphenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-3-isoquinolinecarboxylic acid (English)

19 October 2016

1 reference

7-(4-{[3-(2,6-Dimethylphenyl)-5-(1-Methylethyl)isoxazol-4-Yl]methoxy}phenyl)isoquinoline-3-Carboxylic Acid (English)

19 October 2016

1 reference

0 references

1 reference

3P88 (English)