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

Systemtic Name: (4-heptylphenyl) 2-cyano-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-heptylphenyl) 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-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 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-heptylphenyl) ester Formula: C30H45NO4 MolecularWeight: 483.6826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2C#N)C3OCC(CO3)CCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2C#N)C3OCC(CO3)CCCCC

InChI

InChI=1S/C30H45NO4/c1-3-5-7-8-10-11-23-13-16-27(17-14-23)35-29(32)28-18-15-25(19-26(28)20-31)30-33-21-24(22-34-30)12-9-6-4-2/h13-14,16-17,24-26,28,30H,3-12,15,18-19,21-22H2,1-2H3