3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[(4-methoxyphenyl)methyl]benzenecarbonitrile

Systemtic Name: 3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[(4-methoxyphenyl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-methoxyphenyl)methyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzonitrile CAS Name: 4-[(4-methoxyphenyl)methyl]-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzonitrile IUPAC Name: 4-[(4-methoxyphenyl)methyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzonitrile Traditional Name: 4-p-anisyl-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-benzonitrile Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C(C=C(C=C2)C#N)OC3C(C(C(C(O3)CO)O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C(C=C(C=C2)C#N)OC3C(C(C(C(O3)CO)O)O)O

InChI

InChI=1S/C21H23NO7/c1-27-15-6-3-12(4-7-15)8-14-5-2-13(10-22)9-16(14)28-21-20(26)19(25)18(24)17(11-23)29-21/h2-7,9,17-21,23-26H,8,11H2,1H3