[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-cyanobenzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-cyanobenzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C18H14FNO3 MolecularWeight: 311.307063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCCCC(=O)C2=CC=C(C=C2)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCCCC(=O)C2=CC=C(C=C2)F)C#N

InChI

InChI=1S/C18H14FNO3/c19-16-8-6-14(7-9-16)17(21)5-2-10-23-18(22)15-4-1-3-13(11-15)12-20/h1,3-4,6-9,11H,2,5,10H2