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

Systemtic Name: (4-ethoxyphenyl) 2-cyano-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-ethoxyphenyl) 2-cyano-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexanecarboxylate CAS Name: 2-cyano-4-(5-pentyl-1,3-dioxan-2-yl)-1-cyclohexanecarboxylic acid (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) 2-cyano-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-amyl-1,3-dioxan-2-yl)-2-cyano-cyclohexanecarboxylic acid p-phenetyl ester Formula: C25H35NO5 MolecularWeight: 429.5491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C2CCC(C(C2)C#N)C(=O)OC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCCC1COC(OC1)C2CCC(C(C2)C#N)C(=O)OC3=CC=C(C=C3)OCC

InChI

InChI=1S/C25H35NO5/c1-3-5-6-7-18-16-29-25(30-17-18)19-8-13-23(20(14-19)15-26)24(27)31-22-11-9-21(10-12-22)28-4-2/h9-12,18-20,23,25H,3-8,13-14,16-17H2,1-2H3