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

Systemtic Name: (4-ethylphenyl) 2-cyano-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-ethylphenyl) 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-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 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 (4-ethylphenyl) ester Formula: C25H35NO4 MolecularWeight: 413.5497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO4/c1-3-5-6-7-19-16-28-25(29-17-19)20-10-13-23(21(14-20)15-26)24(27)30-22-11-8-18(4-2)9-12-22/h8-9,11-12,19-21,23,25H,3-7,10,13-14,16-17H2,1-2H3