4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile (Q27453227)

CHEMBL3126187 (English)

4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile

19 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₄N₂O₂

1 reference

CHEMBL3126187 (English)

19 October 2016

canonical SMILES

C1CCC(C1)C(C2CCN(CC2)CCCOC3=CC=C(C=C3)C#N)(C4=CC=CC=C4)O

1 reference

CHEMBL3126187 (English)

19 October 2016

isomeric SMILES

C1CCC(C1)[C@@](C2CCN(CC2)CCCOC3=CC=C(C=C3)C#N)(C4=CC=CC=C4)O

1 reference

CHEMBL3126187 (English)

InChI=1S/C27H34N2O2/c28-21-22-11-13-26(14-12-22)31-20-6-17-29-18-15-25(16-19-29)27(30,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25,30H,4-6,9-10,15-20H2/t27-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3126187 (English)

QBITUTDDFZQXDO-HHHXNRCGSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3126187 (English)

19 October 2016

1 reference

4-(3-{4-[(R)-Cyclopentyl(hydroxy)phenylmethyl]-1-piperidinyl}propoxy)benzonitrile (English)

19 October 2016

2 references

CHEMBL3126187 (English)

matched by identifier from

19 October 2016

InChIKey

QBITUTDDFZQXDO-HHHXNRCGSA-N

1 reference

CHEMBL3126187 (English)

19 October 2016

1 reference

0 references

0 references

1 reference

4OG3 (English)