2-(3-chlorophenoxy)-3-methoxy-4-{(1R)-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]propyl}benzoic acid (Q27453483)

CHEMBL3297963 (English)

19 October 2016

chemical formula

C₂₇H₃₀ClN₃O₆

1 reference

CHEMBL3297963 (English)

19 October 2016

canonical SMILES

CCC(C1=C(C(=C(C=C1)C(=O)O)OC2=CC(=CC=C2)Cl)OC)N3CCCC(C3)N4C=C(C(=O)NC4=O)C

1 reference

CHEMBL3297963 (English)

19 October 2016

isomeric SMILES

CC[C@H](C1=C(C(=C(C=C1)C(=O)O)OC2=CC(=CC=C2)Cl)OC)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C

1 reference

CHEMBL3297963 (English)

InChI=1S/C27H30ClN3O6/c1-4-22(30-12-6-8-18(15-30)31-14-16(2)25(32)29-27(31)35)20-10-11-21(26(33)34)24(23(20)36-3)37-19-9-5-7-17(28)13-19/h5,7,9-11,13-14,18,22H,4,6,8,12,15H2,1-3H3,(H,33,34)(H,29,32,35)/t18-,22+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3297963 (English)

LWVFVEIAPUMILP-PGRDOPGGSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3297963 (English)

19 October 2016

1 reference

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

19 October 2016

1 reference

CHEMBL3297963 (English)

19 October 2016

1 reference

CHEMBL3297963 (English)

19 October 2016

1 reference

0 references

1 reference

4QGF (English)