1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine (Q27453075)

CHEMBL3112961 (English)

19 October 2016

chemical formula

C₂₂H₂₇NO

1 reference

stated in

RCSB protein data bank

PDB ligand ID

2KS

16 February 2021

canonical SMILES

NCC1(CCC(CC1)OCC=CC2=CC=CC=C2)C3=CC=CC=C3

1 reference

CHEMBL3112961 (English)

19 October 2016

isomeric SMILES

NC[C@@]1(CC[C@@H](CC1)OC/C=C/C2=CC=CC=C2)C3=CC=CC=C3

1 reference

CHEMBL3112961 (English)

InChI=1S/C22H27NO/c23-18-22(20-11-5-2-6-12-20)15-13-21(14-16-22)24-17-7-10-19-8-3-1-4-9-19/h1-12,21H,13-18,23H2/b10-7+/t21-,22-

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3112961 (English)

JACSEOHFDRDIAI-VKAAWDBRSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3112961 (English)

19 October 2016

1 reference

1-(cis-1-Phenyl-4-{[(2E)-3-phenyl-2-propen-1-yl]oxy}cyclohexyl)methanamine (English)

19 October 2016

1 reference

CHEMBL3112961 (English)

19 October 2016

0 references

1 reference

4N8D (English)