2-(3-chlorophenoxy)-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid (Q27451667)

CHEMBL2179275 (English)

19 October 2016

chemical formula

C₂₈H₃₂ClN₃O₅

1 reference

CHEMBL2179275 (English)

19 October 2016

canonical SMILES

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

1 reference

CHEMBL2179275 (English)

19 October 2016

isomeric SMILES

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

1 reference

CHEMBL2179275 (English)

InChI=1S/C28H32ClN3O5/c1-17(2)12-24(31-11-5-7-21(16-31)32-15-18(3)26(33)30-28(32)36)19-9-10-23(27(34)35)25(13-19)37-22-8-4-6-20(29)14-22/h4,6,8-10,13-15,17,21,24H,5,7,11-12,16H2,1-3H3,(H,34,35)(H,30,33,36)/t21-,24+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL2179275 (English)

DUMBOKZAFBZKLT-XUZZJYLKSA-N

19 October 2016

InChIKey

1 reference

CHEMBL2179275 (English)

19 October 2016

1 reference

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

19 October 2016

1 reference

CHEMBL2179275 (English)

19 October 2016

1 reference

CHEMBL2179275 (English)

19 October 2016

1 reference

0 references

1 reference

4HDC (English)