(4-ethoxyphenyl) 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoate

Systemtic Name: (4-ethoxyphenyl) 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-ethoxyphenyl) 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoic acid (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoate Traditional Name: 4-(5-amyl-1,3-dioxan-2-yl)-3-cyano-benzoic acid p-phenetyl ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)OCC)C#N

Isomeric SMILES

CCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)OCC)C#N

InChI

InChI=1S/C25H29NO5/c1-3-5-6-7-18-16-29-25(30-17-18)23-13-8-19(14-20(23)15-26)24(27)31-22-11-9-21(10-12-22)28-4-2/h8-14,18,25H,3-7,16-17H2,1-2H3