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

Systemtic Name: (4-hexoxyphenyl) 2-cyano-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-hexoxyphenyl) 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-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 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-hexoxyphenyl) ester Formula: C29H43NO5 MolecularWeight: 485.65542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2C#N)C3OCC(CO3)CCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2C#N)C3OCC(CO3)CCCCC

InChI

InChI=1S/C29H43NO5/c1-3-5-7-9-17-32-25-12-14-26(15-13-25)35-28(31)27-16-11-23(18-24(27)19-30)29-33-20-22(21-34-29)10-8-6-4-2/h12-15,22-24,27,29H,3-11,16-18,20-21H2,1-2H3