(Q27139686)

4-[({[(1S,3S,4R)-3-(Dimethylcarbamoyl)bicyclo[2.2.2]oct-1-yl]carbamoyl}oxy)methyl]benzoic acid (English)

7 October 2016

chemical formula

C₂₀H₂₆N₂O₅

0 references

canonical SMILES

CN(C)C(C1(CC2(CCC1(CC2)[H])N=C(O)OCC3=CC=C(C=C3)C(O)=O)[H])=O

1 reference

4-({[(1S,3S,4R)-3-(dimethylcarbamoyl)bicyclo[2.2.2]oct-1-yl]carbamoyloxy}methyl)benzoic acid (English)

7 October 2016

isomeric SMILES

CN(C)C([C@]1(C[C@@]2(CC[C@]1(CC2)[H])N=C(O)OCC3=CC=C(C=C3)C(O)=O)[H])=O

1 reference

4-({[(1S,3S,4R)-3-(dimethylcarbamoyl)bicyclo[2.2.2]oct-1-yl]carbamoyloxy}methyl)benzoic acid (English)

InChI=1S/C20H26N2O5/c1-22(2)17(23)16-11-20(9-7-14(16)8-10-20)21-19(26)27-12-13-3-5-15(6-4-13)18(24)25/h3-6,14,16H,7-12H2,1-2H3,(H,21,26)(H,24,25)/t14-,16-,20-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

4-({[(1S,3S,4R)-3-(dimethylcarbamoyl)bicyclo[2.2.2]oct-1-yl]carbamoyloxy}methyl)benzoic acid (English)

ZZYFAMGZMYVARN-UVFQYZLESA-N

7 October 2016

InChIKey

2 references

4-({[(1S,3S,4R)-3-(dimethylcarbamoyl)bicyclo[2.2.2]oct-1-yl]carbamoyloxy}methyl)benzoic acid (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-[({[(1S,3S,4R)-3-(Dimethylcarbamoyl)bicyclo[2.2.2]oct-1-yl]carbamoyl}oxy)methyl]benzoic acid (English)

7 October 2016

ChEBI ID

71530

mapping relation type

1 reference