2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]-N-(2-methoxyethyl)acetamide (Q27164554)

Tocris-0930 (English)

2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]-N-(2-methoxyethyl)acetamide

9 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀N₂O₆

1 reference

Tocris-0930 (English)

9 October 2016

canonical SMILES

COCCNC(=O)COC1=CC=C(C=C1)OCCNCC(COC2=CC=CC=C2)O

1 reference

Tocris-0930 (English)

9 October 2016

isomeric SMILES

COCCNC(=O)COC1=CC=C(C=C1)OCCNC[C@H](COC2=CC=CC=C2)O

1 reference

Tocris-0930 (English)

InChI=1S/C22H30N2O6/c1-27-13-12-24-22(26)17-30-21-9-7-20(8-10-21)28-14-11-23-15-18(25)16-29-19-5-3-2-4-6-19/h2-10,18,23,25H,11-17H2,1H3,(H,24,26)/t18-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

Tocris-0930 (English)

RVMBDLSFFNKKLG-GOSISDBHSA-N

9 October 2016

InChIKey

2 references

Tocris-0930 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-[4-(2-{[(2R)-2-Hydroxy-3-phenoxypropyl]amino}ethoxy)phenoxy]-N-(2-methoxyethyl)acetamide (English)

9 October 2016

2 references

Tocris-0930 (English)

matched by identifier from

9 October 2016

InChIKey

RVMBDLSFFNKKLG-GOSISDBHSA-N

ChEBI ID

92793

mapping relation type

2 references

2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]-N-(2-methoxyethyl)acetamide (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C22H30N2O6/c1-27-13-12-24-22(26)17-30-21-9-7-20(8-10-21)28-14-11-23-15-18(25)16-29-19-5-3-2-4-6-19/h2-10,18,23,25H,11-17H2,1H3,(H,24,26)/t18-/m1/s1

1 reference