(4-cyanophenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate

Systemtic Name: (4-cyanophenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate Openeye Name: (4-cyanophenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate CAS Name: 4-[2-(4-propylphenyl)ethynyl]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[2-(4-propylphenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-propylphenyl)ethynyl]benzoic acid (4-cyanophenyl) ester Formula: C25H19NO2 MolecularWeight: 365.42386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H19NO2/c1-2-3-19-4-6-20(7-5-19)8-9-21-10-14-23(15-11-21)25(27)28-24-16-12-22(18-26)13-17-24/h4-7,10-17H,2-3H2,1H3