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

Systemtic Name: (4-heptoxyphenyl) 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-heptoxyphenyl) 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 3-cyano-4-(5-pentyl-1,3-dioxan-2-yl)benzoate Traditional Name: 4-(5-amyl-1,3-dioxan-2-yl)-3-cyano-benzoic acid (4-heptoxyphenyl) ester Formula: C30H39NO5 MolecularWeight: 493.63436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCCC)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCCC)C#N

InChI

InChI=1S/C30H39NO5/c1-3-5-7-8-10-18-33-26-13-15-27(16-14-26)36-29(32)24-12-17-28(25(19-24)20-31)30-34-21-23(22-35-30)11-9-6-4-2/h12-17,19,23,30H,3-11,18,21-22H2,1-2H3