(1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate (Q27453599)

CID117072253 (English)

19 October 2016

chemical formula

C₄₆H₆₀N₂O₁₀

1 reference

CID117072253 (English)

19 October 2016

canonical SMILES

COC1=C(C=C(C=C1)CCC(C2=CC(=CC=C2)OCCN3CCOCC3)OC(=O)C4CCCCN4C(=O)C(C5CCCC=C5)C6=CC(=C(C(=C6)OC)OC)OC)OC

1 reference

CID117072253 (English)

19 October 2016

isomeric SMILES

COC1=C(C=C(C=C1)CC[C@H](C2=CC(=CC=C2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H]([C@H]5CCCC=C5)C6=CC(=C(C(=C6)OC)OC)OC)OC

1 reference

CID117072253 (English)

InChI=1S/C46H60N2O10/c1-51-39-20-18-32(28-40(39)52-2)17-19-38(34-14-11-15-36(29-34)57-27-24-47-22-25-56-26-23-47)58-46(50)37-16-9-10-21-48(37)45(49)43(33-12-7-6-8-13-33)35-30-41(53-3)44(55-5)42(31-35)54-4/h7,11-12,14-15,18,20,28-31,33,37-38,43H,6,8-10,13,16-17,19,21-27H2,1-5H3/t33-,37+,38-,43+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CID117072253 (English)

LMMQNDBBWIKJQS-CNKHDIINSA-N

19 October 2016

InChIKey

1 reference

CID117072253 (English)

19 October 2016

1 reference

(1R)-3-(3,4-Dimethoxyphenyl)-1-{3-[2-(4-morpholinyl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-2-cyclohexen-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinecarboxylate (English)

19 October 2016

1 reference