4-[(6-methoxy-3-oxidanyl-4,5-dipropoxy-oxan-2-yl)methoxymethyl]benzenecarbonitrile

Systemtic Name: 4-[(6-methoxy-3-oxidanyl-4,5-dipropoxy-oxan-2-yl)methoxymethyl]benzenecarbonitrile Openeye Name: 4-[(3-hydroxy-6-methoxy-4,5-dipropoxy-tetrahydropyran-2-yl)methoxymethyl]benzonitrile CAS Name: 4-[(3-hydroxy-6-methoxy-4,5-dipropoxy-2-oxanyl)methoxymethyl]benzonitrile IUPAC Name: 4-[(3-hydroxy-6-methoxy-4,5-dipropoxyoxan-2-yl)methoxymethyl]benzonitrile Traditional Name: 4-[(3-hydroxy-6-methoxy-4,5-dipropoxy-tetrahydropyran-2-yl)methoxymethyl]benzonitrile Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C(C(OC(C1OCCC)OC)COCC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CCCOC1C(C(OC(C1OCCC)OC)COCC2=CC=C(C=C2)C#N)O

InChI

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