4-{[(4-carboxybutyl)(2-{2-[(4'-phenoxybiphenyl-4-yl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid (Q27452228)

CHEMBL3040659 (English)

19 October 2016

chemical formula

C₄₀H₃₉NO₆

1 reference

CHEMBL3040659 (English)

19 October 2016

canonical SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)COC4=CC=CC=C4CCN(CCCCC(=O)O)CC5=CC=C(C=C5)C(=O)O

1 reference

CHEMBL3040659 (English)

InChI=1S/C40H39NO6/c42-39(43)12-6-7-26-41(28-30-13-19-35(20-14-30)40(44)45)27-25-34-8-4-5-11-38(34)46-29-31-15-17-32(18-16-31)33-21-23-37(24-22-33)47-36-9-2-1-3-10-36/h1-5,8-11,13-24H,6-7,12,25-29H2,(H,42,43)(H,44,45)

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3040659 (English)

KJMQIQGZRNYQSS-UHFFFAOYSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3040659 (English)

19 October 2016

1 reference

4-{[(4-Carboxybutyl)(2-{2-[(4'-phenoxy-4-biphenylyl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid (English)

19 October 2016

2 references

CHEMBL3040659 (English)

matched by identifier from

19 October 2016

InChIKey

KJMQIQGZRNYQSS-UHFFFAOYSA-N

1 reference

CHEMBL3040659 (English)

19 October 2016

1 reference

0 references

1 reference

4JQH (English)