5-hexoxy-2-[(2S)-3-[2-(4-methoxyphenyl)ethylamino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 5-hexoxy-2-[(2S)-3-[2-(4-methoxyphenyl)ethylamino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 5-hexoxy-2-[(2S)-2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]propoxy]benzonitrile CAS Name: 5-hexoxy-2-[(2S)-2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]propoxy]benzonitrile IUPAC Name: 5-hexoxy-2-[(2S)-2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]propoxy]benzonitrile Traditional Name: 5-hexoxy-2-[(2S)-2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]propoxy]benzonitrile Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)OCC(CNCCC2=CC=C(C=C2)OC)O)C#N

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)OC[C@H](CNCCC2=CC=C(C=C2)OC)O)C#N

InChI

InChI=1S/C25H34N2O4/c1-3-4-5-6-15-30-24-11-12-25(21(16-24)17-26)31-19-22(28)18-27-14-13-20-7-9-23(29-2)10-8-20/h7-12,16,22,27-28H,3-6,13-15,18-19H2,1-2H3/t22-/m0/s1