3-(3-fluoranyl-4-phenyl-phenyl)butyl pyridine-4-carboxylate

Systemtic Name: 3-(3-fluoranyl-4-phenyl-phenyl)butyl pyridine-4-carboxylate Openeye Name: 3-(3-fluoro-4-phenyl-phenyl)butyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid 3-(3-fluoro-4-phenylphenyl)butyl ester IUPAC Name: 3-(3-fluoro-4-phenylphenyl)butyl pyridine-4-carboxylate Traditional Name: isonicotinic acid 3-(3-fluoro-4-phenyl-phenyl)butyl ester Formula: C22H20FNO2 MolecularWeight: 349.398103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C1=CC=NC=C1)C2=CC(=C(C=C2)C3=CC=CC=C3)F

Isomeric SMILES

CC(CCOC(=O)C1=CC=NC=C1)C2=CC(=C(C=C2)C3=CC=CC=C3)F

InChI

InChI=1S/C22H20FNO2/c1-16(11-14-26-22(25)18-9-12-24-13-10-18)19-7-8-20(21(23)15-19)17-5-3-2-4-6-17/h2-10,12-13,15-16H,11,14H2,1H3