(4-cyanophenyl) 4-[(E)-2-(4-heptoxyphenyl)ethenyl]benzoate

Systemtic Name: (4-cyanophenyl) 4-[(E)-2-(4-heptoxyphenyl)ethenyl]benzoate Openeye Name: (4-cyanophenyl) 4-[(E)-2-(4-heptoxyphenyl)vinyl]benzoate CAS Name: 4-[(E)-2-(4-heptoxyphenyl)ethenyl]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[(E)-2-(4-heptoxyphenyl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(4-heptoxyphenyl)vinyl]benzoic acid (4-cyanophenyl) ester Formula: C29H29NO3 MolecularWeight: 439.54546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C29H29NO3/c1-2-3-4-5-6-21-32-27-17-11-24(12-18-27)8-7-23-9-15-26(16-10-23)29(31)33-28-19-13-25(22-30)14-20-28/h7-20H,2-6,21H2,1H3/b8-7+