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

Systemtic Name: 5-hexoxy-2-[(2S)-3-[(4-methoxyphenyl)methylamino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 5-hexoxy-2-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methylamino]propoxy]benzonitrile CAS Name: 5-hexoxy-2-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methylamino]propoxy]benzonitrile IUPAC Name: 5-hexoxy-2-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methylamino]propoxy]benzonitrile Traditional Name: 5-hexoxy-2-[(2S)-2-hydroxy-3-(p-anisylamino)propoxy]benzonitrile Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)OCC(CNCC2=CC=C(C=C2)OC)O)C#N

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)OC[C@H](CNCC2=CC=C(C=C2)OC)O)C#N

InChI

InChI=1S/C24H32N2O4/c1-3-4-5-6-13-29-23-11-12-24(20(14-23)15-25)30-18-21(27)17-26-16-19-7-9-22(28-2)10-8-19/h7-12,14,21,26-27H,3-6,13,16-18H2,1-2H3/t21-/m0/s1