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

Systemtic Name: (4-heptoxyphenyl) 2-cyano-4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-heptoxyphenyl) 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-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 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-heptoxyphenyl) ester Formula: C30H45NO5 MolecularWeight: 499.682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2C#N)C3OCC(CO3)CCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2C#N)C3OCC(CO3)CCCCC

InChI

InChI=1S/C30H45NO5/c1-3-5-7-8-10-18-33-26-13-15-27(16-14-26)36-29(32)28-17-12-24(19-25(28)20-31)30-34-21-23(22-35-30)11-9-6-4-2/h13-16,23-25,28,30H,3-12,17-19,21-22H2,1-2H3