3-(4-cyanophenyl)prop-2-ynyl benzoate

Systemtic Name: 3-(4-cyanophenyl)prop-2-ynyl benzoate Openeye Name: 3-(4-cyanophenyl)prop-2-ynyl benzoate CAS Name: benzoic acid 3-(4-cyanophenyl)prop-2-ynyl ester IUPAC Name: 3-(4-cyanophenyl)prop-2-ynyl benzoate Traditional Name: benzoic acid 3-(4-cyanophenyl)prop-2-ynyl ester Formula: C17H11NO2 MolecularWeight: 261.27474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC#CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC#CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H11NO2/c18-13-15-10-8-14(9-11-15)5-4-12-20-17(19)16-6-2-1-3-7-16/h1-3,6-11H,12H2