2-[[6-(methoxymethyl)-5-oxidanyl-2-propan-2-yloxy-4-propoxy-oxan-3-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 2-[[6-(methoxymethyl)-5-oxidanyl-2-propan-2-yloxy-4-propoxy-oxan-3-yl]oxymethyl]benzenecarbonitrile Openeye Name: 2-[[5-hydroxy-2-isopropoxy-6-(methoxymethyl)-4-propoxy-tetrahydropyran-3-yl]oxymethyl]benzonitrile CAS Name: 2-[[5-hydroxy-6-(methoxymethyl)-2-propan-2-yloxy-4-propoxy-3-oxanyl]oxymethyl]benzonitrile IUPAC Name: 2-[[5-hydroxy-6-(methoxymethyl)-2-propan-2-yloxy-4-propoxyoxan-3-yl]oxymethyl]benzonitrile Traditional Name: 2-[[5-hydroxy-2-isopropoxy-6-(methoxymethyl)-4-propoxy-tetrahydropyran-3-yl]oxymethyl]benzonitrile Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C(C(OC(C1OCC2=CC=CC=C2C#N)OC(C)C)COC)O

Isomeric SMILES

CCCOC1C(C(OC(C1OCC2=CC=CC=C2C#N)OC(C)C)COC)O

InChI

InChI=1S/C21H31NO6/c1-5-10-25-19-18(23)17(13-24-4)28-21(27-14(2)3)20(19)26-12-16-9-7-6-8-15(16)11-22/h6-9,14,17-21,23H,5,10,12-13H2,1-4H3