(4-cyano-3-fluoranyl-phenyl) 4-[5-[(E)-pent-3-enyl]pyrimidin-2-yl]benzoate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-[5-[(E)-pent-3-enyl]pyrimidin-2-yl]benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-[5-[(E)-pent-3-enyl]pyrimidin-2-yl]benzoate CAS Name: 4-[5-[(E)-pent-3-enyl]-2-pyrimidinyl]benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-[5-[(E)-pent-3-enyl]pyrimidin-2-yl]benzoate Traditional Name: 4-[5-[(E)-pent-3-enyl]pyrimidin-2-yl]benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C23H18FN3O2 MolecularWeight: 387.406323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/CCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C23H18FN3O2/c1-2-3-4-5-16-14-26-22(27-15-16)17-6-8-18(9-7-17)23(28)29-20-11-10-19(13-25)21(24)12-20/h2-3,6-12,14-15H,4-5H2,1H3/b3-2+