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

Systemtic Name: (4-propoxyphenyl) 2-cyano-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-propoxyphenyl) 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-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 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-propoxyphenyl) ester Formula: C26H37NO5 MolecularWeight: 443.57568

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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO5/c1-3-5-6-7-19-17-30-26(31-18-19)20-8-13-24(21(15-20)16-27)25(28)32-23-11-9-22(10-12-23)29-14-4-2/h9-12,19-21,24,26H,3-8,13-15,17-18H2,1-2H3