(4S)-4-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester (Q27163563)

AB01563091_01 (English)

9 October 2016

chemical formula

C₂₃H₂₆N₂O₂

1 reference

AB01563091_01 (English)

9 October 2016

canonical SMILES

C1CN2CCC1C(C2)OC(=O)C3C(C4=CC=CC=C4CN3)C5=CC=CC=C5

1 reference

AB01563091_01 (English)

9 October 2016

isomeric SMILES

C1CN2CCC1[C@H](C2)OC(=O)C3[C@H](C4=CC=CC=C4CN3)C5=CC=CC=C5

1 reference

AB01563091_01 (English)

InChI=1S/C23H26N2O2/c26-23(27-20-15-25-12-10-16(20)11-13-25)22-21(17-6-2-1-3-7-17)19-9-5-4-8-18(19)14-24-22/h1-9,16,20-22,24H,10-15H2/t20-,21-,22?/m0/s1

9 October 2016

Identifiers

InChI

1 reference

AB01563091_01 (English)

IGCKSKSSHBPKHO-LGTSYYJHSA-N

9 October 2016

InChIKey

2 references

AB01563091_01 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

AB01563091_01 (English)

matched by identifier from

9 October 2016

InChIKey

IGCKSKSSHBPKHO-LGTSYYJHSA-N

ChEBI ID

91756

mapping relation type

2 references

(4S)-4-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester (English)