(Q27106175)

Cinnamoylcocaine (English)

5 October 2016

chemical formula

C₁₉H₂₃NO₄

1 reference

Cinnamoylcocaine (English)

5 October 2016

canonical SMILES

CN1C2CCC1C(C(C2)OC(=O)C=CC3=CC=CC=C3)C(=O)OC

1 reference

Cinnamoylcocaine (English)

5 October 2016

isomeric SMILES

CN1C2CCC1[C@H]([C@H](C2)OC(=O)/C=C/C3=CC=CC=C3)C(=O)OC

1 reference

Cinnamoylcocaine (English)

InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+/t14?,15?,16-,18+/m0/s1

5 October 2016

Identifiers

InChI

1 reference

Cinnamoylcocaine (English)

MQIXMJWNEKUAOZ-OSINBPNZSA-N

5 October 2016

InChIKey

2 references

Cinnamoylcocaine (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Methyl (2R,3S)-8-methyl-3-{[(2E)-3-phenyl-2-propenoyl]oxy}-8-azabicyclo[3.2.1]octane-2-carboxylate (English)

5 October 2016

2 references

Cinnamoylcocaine (English)

matched by identifier from

5 October 2016

InChIKey

MQIXMJWNEKUAOZ-OSINBPNZSA-N

ChEBI ID

3713

mapping relation type

2 references

Cinnamoylcocaine (English)