2-(3-chlorophenoxy)-3-fluoro-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid (Q27453482)

CHEMBL3297962 (English)

19 October 2016

chemical formula

C₂₄H₂₃ClFN₃O₅

1 reference

CHEMBL3297962 (English)

19 October 2016

canonical SMILES

CC1=CN(C(=O)NC1=O)C2CCCN(C2)CC3=C(C(=C(C=C3)C(=O)O)OC4=CC(=CC=C4)Cl)F

1 reference

CHEMBL3297962 (English)

19 October 2016

isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)CC3=C(C(=C(C=C3)C(=O)O)OC4=CC(=CC=C4)Cl)F

1 reference

CHEMBL3297962 (English)

InChI=1S/C24H23ClFN3O5/c1-14-11-29(24(33)27-22(14)30)17-5-3-9-28(13-17)12-15-7-8-19(23(31)32)21(20(15)26)34-18-6-2-4-16(25)10-18/h2,4,6-8,10-11,17H,3,5,9,12-13H2,1H3,(H,31,32)(H,27,30,33)/t17-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3297962 (English)

CFELMOUQZGRYTG-KRWDZBQOSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3297962 (English)

19 October 2016

1 reference

2-(3-Chlorophenoxy)-3-fluoro-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]methyl}benzoic acid (English)

19 October 2016

2 references

CHEMBL3297962 (English)

matched by identifier from

19 October 2016

InChIKey

CFELMOUQZGRYTG-KRWDZBQOSA-N

1 reference

CHEMBL3297962 (English)

19 October 2016

1 reference

0 references

1 reference

4QGA (English)